N-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-1-(1H-indol-3-yl)-2-methylpropan-2-amine;hydrochloride

C24H31ClN2O2 — CID 19919936

IUPACN-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-1-(1H-indol-3-yl)-2-methylpropan-2-amine;hydrochloride
SMILESCC(C)(Cc1c[nH]c2ccccc12)NCCOc1ccccc1OCC1CC1.Cl
InChIInChI=1S/C24H30N2O2.ClH/c1-24(2,15-19-16-25-21-8-4-3-7-20(19)21)26-13-14-27-22-9-5-6-10-23(22)28-17-18-11-12-18;/h3-10,16,18,25-26H,11-15,17H2,1-2H3;1H
InChIKeyVPNYHYHXTUZLPH-UHFFFAOYSA-N
MW414.98 g/mol
LogP5.37
Rot. Bonds10

About N-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-1-(1H-indol-3-yl)-2-methylpropan-2-amine;hydrochloride

N-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-1-(1H-indol-3-yl)-2-methylpropan-2-amine;hydrochloride (PubChem CID 19919936) has the molecular formula C24H31ClN2O2 and a molecular weight of 414.98 g/mol. Its IUPAC name is N-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-1-(1H-indol-3-yl)-2-methylpropan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-1-(1H-indol-3-yl)-2-methylpropan-2-amine;hydrochloride
PubChem CID19919936
Molecular FormulaC24H31ClN2O2
Molecular Weight414.98 g/mol
Exact Mass414.21
IUPAC NameN-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-1-(1H-indol-3-yl)-2-methylpropan-2-amine;hydrochloride
SMILESCC(C)(Cc1c[nH]c2ccccc12)NCCOc1ccccc1OCC1CC1.Cl
InChIInChI=1S/C24H30N2O2.ClH/c1-24(2,15-19-16-25-21-8-4-3-7-20(19)21)26-13-14-27-22-9-5-6-10-23(22)28-17-18-11-12-18;/h3-10,16,18,25-26H,11-15,17H2,1-2H3;1H
InChIKeyVPNYHYHXTUZLPH-UHFFFAOYSA-N
XLogP5.37
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.98
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1H-indol-3-yl)-2-methyl-N-[2-[2-(oxolan-2-ylmethoxy)phenoxy]ethyl]propan-2-amine
CID 19919967
N-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-2-methyl-1-(2-methyl-1H-indol-3-yl)propan-2-amine
CID 15289628
3-[2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethoxy]-4-(2-methylpropoxy)phenol;hydrochloride
CID 19919968
1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-pentoxypropan-2-ol
CID 70500153
1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-(2-methylsulfanylphenoxy)propan-2-ol
CID 12619640
1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-[2-(trifluoromethyl)phenoxy]propan-2-ol
CID 12619630
1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-phenoxypropan-2-ol
CID 12619618
1-[3-(cyclopropylmethoxy)propyl]-3-[2-(1H-indol-3-yl)ethyl]urea
CID 86992805
N-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]acetamide
CID 113086281
N-[2-(2-ethoxyphenoxy)ethyl]-2-methylbutan-2-amine
CID 55088165
1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-(3-methylphenoxy)propan-2-ol
CID 23330538
2-[1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-[2-(trifluoromethyl)phenoxy]propan-2-yl]oxy-2-oxoacetic acid
CID 57166434

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-1-(1H-indol-3-yl)-2-methylpropan-2-amine;hydrochloride?
The IUPAC name of N-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-1-(1H-indol-3-yl)-2-methylpropan-2-amine;hydrochloride (CID 19919936) is N-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-1-(1H-indol-3-yl)-2-methylpropan-2-amine;hydrochloride.
What is the SMILES notation for N-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-1-(1H-indol-3-yl)-2-methylpropan-2-amine;hydrochloride?
The canonical SMILES for N-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-1-(1H-indol-3-yl)-2-methylpropan-2-amine;hydrochloride is CC(C)(Cc1c[nH]c2ccccc12)NCCOc1ccccc1OCC1CC1.Cl.
What is the InChIKey of N-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-1-(1H-indol-3-yl)-2-methylpropan-2-amine;hydrochloride?
The InChIKey is VPNYHYHXTUZLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2.ClH/c1-24(2,15-19-16-25-21-8-4-3-7-20(19)21)26-13-14-27-22-9-5-6-10-23(22)28-17-18-11-12-18;/h3-10,16,18,25-26H,11-15,17H2,1-2H3;1H.
What are the key properties of N-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-1-(1H-indol-3-yl)-2-methylpropan-2-amine;hydrochloride?
N-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-1-(1H-indol-3-yl)-2-methylpropan-2-amine;hydrochloride has a molecular weight of 414.98 g/mol, XLogP of 5.37, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-1-(1H-indol-3-yl)-2-methylpropan-2-amine;hydrochloride is sourced from PubChem (CID 19919936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).