1-N-(1H-indol-6-ylmethyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine

C18H21N3 — CID 102911672

IUPAC1-N-(1H-indol-6-ylmethyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
SMILESCc1ccc(NCc2ccc3cc[nH]c3c2)cc1N(C)C
InChIInChI=1S/C18H21N3/c1-13-4-7-16(11-18(13)21(2)3)20-12-14-5-6-15-8-9-19-17(15)10-14/h4-11,19-20H,12H2,1-3H3
InChIKeyDEANDOURCXQALM-UHFFFAOYSA-N
MW279.39 g/mol
LogP4.15
Rot. Bonds4

About 1-N-(1H-indol-6-ylmethyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine

1-N-(1H-indol-6-ylmethyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine (PubChem CID 102911672) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 1-N-(1H-indol-6-ylmethyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-(1H-indol-6-ylmethyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
PubChem CID102911672
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name1-N-(1H-indol-6-ylmethyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
SMILESCc1ccc(NCc2ccc3cc[nH]c3c2)cc1N(C)C
InChIInChI=1S/C18H21N3/c1-13-4-7-16(11-18(13)21(2)3)20-12-14-5-6-15-8-9-19-17(15)10-14/h4-11,19-20H,12H2,1-3H3
InChIKeyDEANDOURCXQALM-UHFFFAOYSA-N
XLogP4.15
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-N-(1H-indol-6-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 102910164
N-(1H-indol-6-ylmethyl)-3-iodo-4-methylaniline
CID 102909680
N-(1H-indol-6-ylmethyl)aniline
CID 29012556
4-bromo-3-chloro-N-(1H-indol-6-ylmethyl)aniline
CID 107619291
1-N-[(3,5-dichlorophenyl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115376970
3-chloro-4-ethoxy-N-(1H-indol-6-ylmethyl)aniline
CID 102910079
4-fluoro-N-(1H-indol-5-ylmethyl)-3-methylaniline
CID 102910801
N-(1-benzothiophen-6-ylmethyl)-1H-indol-6-amine
CID 174726485
N-[(4-methylphenyl)methyl]-1H-indol-5-amine
CID 28662234
N-(1H-indol-6-ylmethyl)-3-(trifluoromethyl)aniline
CID 102909173
4-(difluoromethoxy)-N-(1H-indol-6-ylmethyl)aniline
CID 102909269
1-N-[(1-ethylpyrrol-3-yl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115376667

Frequently Asked Questions

What is the IUPAC name of 1-N-(1H-indol-6-ylmethyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine?
The IUPAC name of 1-N-(1H-indol-6-ylmethyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine (CID 102911672) is 1-N-(1H-indol-6-ylmethyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-(1H-indol-6-ylmethyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine?
The canonical SMILES for 1-N-(1H-indol-6-ylmethyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine is Cc1ccc(NCc2ccc3cc[nH]c3c2)cc1N(C)C.
What is the InChIKey of 1-N-(1H-indol-6-ylmethyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine?
The InChIKey is DEANDOURCXQALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-13-4-7-16(11-18(13)21(2)3)20-12-14-5-6-15-8-9-19-17(15)10-14/h4-11,19-20H,12H2,1-3H3.
What are the key properties of 1-N-(1H-indol-6-ylmethyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine?
1-N-(1H-indol-6-ylmethyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine has a molecular weight of 279.39 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1H-indol-6-ylmethyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine is sourced from PubChem (CID 102911672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).