N-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-2-methyl-1-(2-methyl-1H-indol-3-yl)propan-2-amine

C25H32N2O2 — CID 15289628

IUPACN-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-2-methyl-1-(2-methyl-1H-indol-3-yl)propan-2-amine
SMILESCc1[nH]c2ccccc2c1CC(C)(C)NCCOc1ccccc1OCC1CC1
InChIInChI=1S/C25H32N2O2/c1-18-21(20-8-4-5-9-22(20)27-18)16-25(2,3)26-14-15-28-23-10-6-7-11-24(23)29-17-19-12-13-19/h4-11,19,26-27H,12-17H2,1-3H3
InChIKeyMXNBILDTYFTXRJ-UHFFFAOYSA-N
MW392.54 g/mol
LogP5.25
Rot. Bonds10

About N-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-2-methyl-1-(2-methyl-1H-indol-3-yl)propan-2-amine

N-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-2-methyl-1-(2-methyl-1H-indol-3-yl)propan-2-amine (PubChem CID 15289628) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is N-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-2-methyl-1-(2-methyl-1H-indol-3-yl)propan-2-amine.

Molecular Properties

Compound NameN-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-2-methyl-1-(2-methyl-1H-indol-3-yl)propan-2-amine
PubChem CID15289628
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC NameN-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-2-methyl-1-(2-methyl-1H-indol-3-yl)propan-2-amine
SMILESCc1[nH]c2ccccc2c1CC(C)(C)NCCOc1ccccc1OCC1CC1
InChIInChI=1S/C25H32N2O2/c1-18-21(20-8-4-5-9-22(20)27-18)16-25(2,3)26-14-15-28-23-10-6-7-11-24(23)29-17-19-12-13-19/h4-11,19,26-27H,12-17H2,1-3H3
InChIKeyMXNBILDTYFTXRJ-UHFFFAOYSA-N
XLogP5.25
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.54
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-1-(1H-indol-3-yl)-2-methylpropan-2-amine;hydrochloride
CID 19919936
2-methyl-N-[2-[2-(2-methylpropoxy)phenoxy]ethyl]-1-(2-methylsulfonyl-1H-indol-3-yl)propan-2-amine
CID 19919914
N-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-1-(2-fluoro-1H-indol-3-yl)propan-2-amine;hydrochloride
CID 19919970
1-(1H-indol-3-yl)-2-methyl-N-[2-[2-(oxolan-2-ylmethoxy)phenoxy]ethyl]propan-2-amine
CID 19919967
N-[2-(2-ethoxyphenoxy)ethyl]-2-methylbutan-2-amine
CID 55088165
N-[[1-[(2-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine
CID 80550988
1-(cyclopropylmethoxy)-2-(trifluoromethoxy)benzene
CID 91212316
CID 67186434
CID 67186434
N-(3-methylcyclohexyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 134005284
N-methoxy-2-(2-methyl-1H-indol-3-yl)ethanamine
CID 134536528
1-(cyclopentylmethoxy)-2-methylbenzene
CID 59117156
N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 119313731

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-2-methyl-1-(2-methyl-1H-indol-3-yl)propan-2-amine?
The IUPAC name of N-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-2-methyl-1-(2-methyl-1H-indol-3-yl)propan-2-amine (CID 15289628) is N-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-2-methyl-1-(2-methyl-1H-indol-3-yl)propan-2-amine.
What is the SMILES notation for N-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-2-methyl-1-(2-methyl-1H-indol-3-yl)propan-2-amine?
The canonical SMILES for N-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-2-methyl-1-(2-methyl-1H-indol-3-yl)propan-2-amine is Cc1[nH]c2ccccc2c1CC(C)(C)NCCOc1ccccc1OCC1CC1.
What is the InChIKey of N-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-2-methyl-1-(2-methyl-1H-indol-3-yl)propan-2-amine?
The InChIKey is MXNBILDTYFTXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-18-21(20-8-4-5-9-22(20)27-18)16-25(2,3)26-14-15-28-23-10-6-7-11-24(23)29-17-19-12-13-19/h4-11,19,26-27H,12-17H2,1-3H3.
What are the key properties of N-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-2-methyl-1-(2-methyl-1H-indol-3-yl)propan-2-amine?
N-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-2-methyl-1-(2-methyl-1H-indol-3-yl)propan-2-amine has a molecular weight of 392.54 g/mol, XLogP of 5.25, 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]-2-methyl-1-(2-methyl-1H-indol-3-yl)propan-2-amine is sourced from PubChem (CID 15289628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).