N-benzyl-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine;hydrochloride

C23H31ClN2O — CID 21313373

IUPACN-benzyl-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine;hydrochloride
SMILESCOc1ccc2[nH]c(C)c(CCN(Cc3ccccc3)C(C)(C)C)c2c1.Cl
InChIInChI=1S/C23H30N2O.ClH/c1-17-20(21-15-19(26-5)11-12-22(21)24-17)13-14-25(23(2,3)4)16-18-9-7-6-8-10-18;/h6-12,15,24H,13-14,16H2,1-5H3;1H
InChIKeyPVTOXLIIKUMOHJ-UHFFFAOYSA-N
MW386.97 g/mol
LogP5.75
Rot. Bonds6

About N-benzyl-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine;hydrochloride

N-benzyl-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine;hydrochloride (PubChem CID 21313373) has the molecular formula C23H31ClN2O and a molecular weight of 386.97 g/mol. Its IUPAC name is N-benzyl-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-benzyl-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine;hydrochloride
PubChem CID21313373
Molecular FormulaC23H31ClN2O
Molecular Weight386.97 g/mol
Exact Mass386.21
IUPAC NameN-benzyl-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine;hydrochloride
SMILESCOc1ccc2[nH]c(C)c(CCN(Cc3ccccc3)C(C)(C)C)c2c1.Cl
InChIInChI=1S/C23H30N2O.ClH/c1-17-20(21-15-19(26-5)11-12-22(21)24-17)13-14-25(23(2,3)4)16-18-9-7-6-8-10-18;/h6-12,15,24H,13-14,16H2,1-5H3;1H
InChIKeyPVTOXLIIKUMOHJ-UHFFFAOYSA-N
XLogP5.75
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.97
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-benzyl-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]butanamide
CID 10293116
2-(5-bromo-2-methyl-1H-indol-3-yl)-N,N-bis[(4-methoxyphenyl)methyl]ethanamine
CID 122187876
[3-[2-[benzyl(tert-butyl)amino]ethyl]-5-methoxy-2-methylindol-1-yl]-(4-fluorophenyl)methanone
CID 21313304
1-(furan-2-ylmethyl)-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3-(2-phenylethyl)thiourea
CID 4135694
N-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]-2-methylpropan-2-amine
CID 65335669
1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3-(3-methoxyphenyl)-1-(pyridin-4-ylmethyl)thiourea
CID 2158125
1-(furan-2-ylmethyl)-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3-phenylthiourea
CID 4612091
N-[3-(5-methoxy-2-methyl-1H-indol-3-yl)propyl]cyclopropanamine
CID 98032942
1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3-(3-methylphenyl)-1-(pyridin-4-ylmethyl)thiourea
CID 2158115
5-methoxy-2-methyl-3-prop-2-enyl-1H-indole
CID 156558108
1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3-methyl-1-(thiophen-2-ylmethyl)thiourea
CID 2158140
N-benzyl-N-ethyl-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 4971091

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine;hydrochloride?
The IUPAC name of N-benzyl-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine;hydrochloride (CID 21313373) is N-benzyl-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine;hydrochloride.
What is the SMILES notation for N-benzyl-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine;hydrochloride?
The canonical SMILES for N-benzyl-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine;hydrochloride is COc1ccc2[nH]c(C)c(CCN(Cc3ccccc3)C(C)(C)C)c2c1.Cl.
What is the InChIKey of N-benzyl-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine;hydrochloride?
The InChIKey is PVTOXLIIKUMOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O.ClH/c1-17-20(21-15-19(26-5)11-12-22(21)24-17)13-14-25(23(2,3)4)16-18-9-7-6-8-10-18;/h6-12,15,24H,13-14,16H2,1-5H3;1H.
What are the key properties of N-benzyl-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine;hydrochloride?
N-benzyl-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine;hydrochloride has a molecular weight of 386.97 g/mol, XLogP of 5.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine;hydrochloride is sourced from PubChem (CID 21313373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).