N-(1H-indol-5-ylmethyl)-3,5-dimethylaniline;hydrochloride

C17H19ClN2 — CID 17221817

IUPACN-(1H-indol-5-ylmethyl)-3,5-dimethylaniline;hydrochloride
SMILESCc1cc(C)cc(NCc2ccc3[nH]ccc3c2)c1.Cl
InChIInChI=1S/C17H18N2.ClH/c1-12-7-13(2)9-16(8-12)19-11-14-3-4-17-15(10-14)5-6-18-17;/h3-10,18-19H,11H2,1-2H3;1H
InChIKeyWQJXFCLBDPEEFY-UHFFFAOYSA-N
MW286.81 g/mol
LogP4.82
Rot. Bonds3

About N-(1H-indol-5-ylmethyl)-3,5-dimethylaniline;hydrochloride

N-(1H-indol-5-ylmethyl)-3,5-dimethylaniline;hydrochloride (PubChem CID 17221817) has the molecular formula C17H19ClN2 and a molecular weight of 286.81 g/mol. Its IUPAC name is N-(1H-indol-5-ylmethyl)-3,5-dimethylaniline;hydrochloride.

Molecular Properties

Compound NameN-(1H-indol-5-ylmethyl)-3,5-dimethylaniline;hydrochloride
PubChem CID17221817
Molecular FormulaC17H19ClN2
Molecular Weight286.81 g/mol
Exact Mass286.12
IUPAC NameN-(1H-indol-5-ylmethyl)-3,5-dimethylaniline;hydrochloride
SMILESCc1cc(C)cc(NCc2ccc3[nH]ccc3c2)c1.Cl
InChIInChI=1S/C17H18N2.ClH/c1-12-7-13(2)9-16(8-12)19-11-14-3-4-17-15(10-14)5-6-18-17;/h3-10,18-19H,11H2,1-2H3;1H
InChIKeyWQJXFCLBDPEEFY-UHFFFAOYSA-N
XLogP4.82
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-methylphenyl)methyl]-1H-indol-5-amine
CID 28662234
N-(1H-indol-5-ylmethyl)-3,4,5-trimethoxyaniline;hydrochloride
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2-bromo-N-(1H-indol-5-ylmethyl)-5-methylaniline
CID 102911718
4-fluoro-N-(1H-indol-5-ylmethyl)-3-methylaniline
CID 102910801
4-bromo-3-chloro-N-(1H-indol-5-ylmethyl)aniline
CID 107619194
2-chloro-N-(1H-indol-5-ylmethyl)-5-methylaniline
CID 107630712
N-[(4-ethylphenyl)methyl]-1H-indol-5-amine
CID 28546654
4-chloro-3-fluoro-N-(1H-indol-5-ylmethyl)aniline;hydrochloride
CID 17221843
N-(1H-indol-5-ylmethyl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 102909486
N-(1H-indol-5-ylmethyl)-2-methyl-1,3-benzothiazol-6-amine
CID 102909567
2-chloro-4-(1H-indol-5-ylmethylamino)phenol
CID 107678050
N-(1H-indol-5-ylmethyl)quinoxalin-6-amine
CID 102910076

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-ylmethyl)-3,5-dimethylaniline;hydrochloride?
The IUPAC name of N-(1H-indol-5-ylmethyl)-3,5-dimethylaniline;hydrochloride (CID 17221817) is N-(1H-indol-5-ylmethyl)-3,5-dimethylaniline;hydrochloride.
What is the SMILES notation for N-(1H-indol-5-ylmethyl)-3,5-dimethylaniline;hydrochloride?
The canonical SMILES for N-(1H-indol-5-ylmethyl)-3,5-dimethylaniline;hydrochloride is Cc1cc(C)cc(NCc2ccc3[nH]ccc3c2)c1.Cl.
What is the InChIKey of N-(1H-indol-5-ylmethyl)-3,5-dimethylaniline;hydrochloride?
The InChIKey is WQJXFCLBDPEEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2.ClH/c1-12-7-13(2)9-16(8-12)19-11-14-3-4-17-15(10-14)5-6-18-17;/h3-10,18-19H,11H2,1-2H3;1H.
What are the key properties of N-(1H-indol-5-ylmethyl)-3,5-dimethylaniline;hydrochloride?
N-(1H-indol-5-ylmethyl)-3,5-dimethylaniline;hydrochloride has a molecular weight of 286.81 g/mol, XLogP of 4.82, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-ylmethyl)-3,5-dimethylaniline;hydrochloride is sourced from PubChem (CID 17221817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).