N-(1H-indol-5-ylmethyl)-1-(3-methoxyphenyl)methanamine;hydrochloride

C17H19ClN2O — CID 17221715

IUPACN-(1H-indol-5-ylmethyl)-1-(3-methoxyphenyl)methanamine;hydrochloride
SMILESCOc1cccc(CNCc2ccc3[nH]ccc3c2)c1.Cl
InChIInChI=1S/C17H18N2O.ClH/c1-20-16-4-2-3-13(10-16)11-18-12-14-5-6-17-15(9-14)7-8-19-17;/h2-10,18-19H,11-12H2,1H3;1H
InChIKeyUCSHKZCEMJBDDC-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.89
Rot. Bonds5

About N-(1H-indol-5-ylmethyl)-1-(3-methoxyphenyl)methanamine;hydrochloride

N-(1H-indol-5-ylmethyl)-1-(3-methoxyphenyl)methanamine;hydrochloride (PubChem CID 17221715) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is N-(1H-indol-5-ylmethyl)-1-(3-methoxyphenyl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-(1H-indol-5-ylmethyl)-1-(3-methoxyphenyl)methanamine;hydrochloride
PubChem CID17221715
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC NameN-(1H-indol-5-ylmethyl)-1-(3-methoxyphenyl)methanamine;hydrochloride
SMILESCOc1cccc(CNCc2ccc3[nH]ccc3c2)c1.Cl
InChIInChI=1S/C17H18N2O.ClH/c1-20-16-4-2-3-13(10-16)11-18-12-14-5-6-17-15(9-14)7-8-19-17;/h2-10,18-19H,11-12H2,1H3;1H
InChIKeyUCSHKZCEMJBDDC-UHFFFAOYSA-N
XLogP3.89
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-indol-5-ylmethyl)-1-(3-methoxyphenyl)methanamine
CID 17221716
1-(3-ethoxyphenyl)-N-(1H-indol-6-ylmethyl)methanamine
CID 102909966
1-(1H-indol-5-yl)-N-[(2-methoxy-4-pyridinyl)methyl]methanamine
CID 102910851
N-(1H-indol-5-ylmethyl)-2-(3-methylphenoxy)ethanamine
CID 102910510
methyl 4-[(1H-indol-5-ylmethylamino)methyl]benzoate
CID 118070071
N-[(2S,3S)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-1H-indole-5-carboxamide
CID 68608754
N-(1H-indol-5-yl)-3-(3-methoxyphenyl)propanamide
CID 110730751
1-(3-methoxyphenyl)-N-[(2,3,4,5,6-pentadeuteriophenyl)methyl]methanamine
CID 165111805
N-[(3,5-dimethylphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 54940038
N-[(6-methoxynaphthalen-2-yl)methyl]-1-phenylmethanamine
CID 18505307
3-(1H-indol-6-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 71840754
N-(1H-indol-5-ylmethyl)but-2-yn-1-amine
CID 102911910

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-ylmethyl)-1-(3-methoxyphenyl)methanamine;hydrochloride?
The IUPAC name of N-(1H-indol-5-ylmethyl)-1-(3-methoxyphenyl)methanamine;hydrochloride (CID 17221715) is N-(1H-indol-5-ylmethyl)-1-(3-methoxyphenyl)methanamine;hydrochloride.
What is the SMILES notation for N-(1H-indol-5-ylmethyl)-1-(3-methoxyphenyl)methanamine;hydrochloride?
The canonical SMILES for N-(1H-indol-5-ylmethyl)-1-(3-methoxyphenyl)methanamine;hydrochloride is COc1cccc(CNCc2ccc3[nH]ccc3c2)c1.Cl.
What is the InChIKey of N-(1H-indol-5-ylmethyl)-1-(3-methoxyphenyl)methanamine;hydrochloride?
The InChIKey is UCSHKZCEMJBDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O.ClH/c1-20-16-4-2-3-13(10-16)11-18-12-14-5-6-17-15(9-14)7-8-19-17;/h2-10,18-19H,11-12H2,1H3;1H.
What are the key properties of N-(1H-indol-5-ylmethyl)-1-(3-methoxyphenyl)methanamine;hydrochloride?
N-(1H-indol-5-ylmethyl)-1-(3-methoxyphenyl)methanamine;hydrochloride has a molecular weight of 302.81 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-ylmethyl)-1-(3-methoxyphenyl)methanamine;hydrochloride is sourced from PubChem (CID 17221715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).