N-(1H-indol-6-ylmethyl)aniline

C15H14N2 — CID 29012556

IUPACN-(1H-indol-6-ylmethyl)aniline
SMILESc1ccc(NCc2ccc3cc[nH]c3c2)cc1
InChIInChI=1S/C15H14N2/c1-2-4-14(5-3-1)17-11-12-6-7-13-8-9-16-15(13)10-12/h1-10,16-17H,11H2
InChIKeyCIQXCVIMOLZSHD-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.78
Rot. Bonds3

About N-(1H-indol-6-ylmethyl)aniline

N-(1H-indol-6-ylmethyl)aniline (PubChem CID 29012556) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(1H-indol-6-ylmethyl)aniline.

Molecular Properties

Compound NameN-(1H-indol-6-ylmethyl)aniline
PubChem CID29012556
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC NameN-(1H-indol-6-ylmethyl)aniline
SMILESc1ccc(NCc2ccc3cc[nH]c3c2)cc1
InChIInChI=1S/C15H14N2/c1-2-4-14(5-3-1)17-11-12-6-7-13-8-9-16-15(13)10-12/h1-10,16-17H,11H2
InChIKeyCIQXCVIMOLZSHD-UHFFFAOYSA-N
XLogP3.78
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1H-indol-6-ylmethyl)-3-(trifluoromethyl)aniline
CID 102909173
4-(difluoromethoxy)-N-(1H-indol-6-ylmethyl)aniline
CID 102909269
4-bromo-3-chloro-N-(1H-indol-6-ylmethyl)aniline
CID 107619291
N-(1H-indol-6-ylmethyl)-3-iodo-4-methylaniline
CID 102909680
N-(1H-indol-6-ylmethyl)-2-phenylsulfanylethanamine
CID 102910230
2,4,6-tribromo-N-(1H-indol-6-ylmethyl)aniline
CID 102909414
1-N-(1H-indol-6-ylmethyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 102911672
1-ethyl-N-(1H-indol-6-ylmethyl)pyrazol-4-amine
CID 102909482
2-chloro-4-N-(1H-indol-6-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 102910164
N-(1-benzothiophen-6-ylmethyl)-1H-indol-6-amine
CID 174726485
1-(1H-indol-6-yl)-N-methoxymethanamine
CID 82599129
2-bromo-N-(1H-indol-6-ylmethyl)pyridin-3-amine
CID 114051468

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-6-ylmethyl)aniline?
The IUPAC name of N-(1H-indol-6-ylmethyl)aniline (CID 29012556) is N-(1H-indol-6-ylmethyl)aniline.
What is the SMILES notation for N-(1H-indol-6-ylmethyl)aniline?
The canonical SMILES for N-(1H-indol-6-ylmethyl)aniline is c1ccc(NCc2ccc3cc[nH]c3c2)cc1.
What is the InChIKey of N-(1H-indol-6-ylmethyl)aniline?
The InChIKey is CIQXCVIMOLZSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c1-2-4-14(5-3-1)17-11-12-6-7-13-8-9-16-15(13)10-12/h1-10,16-17H,11H2.
What are the key properties of N-(1H-indol-6-ylmethyl)aniline?
N-(1H-indol-6-ylmethyl)aniline has a molecular weight of 222.29 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-6-ylmethyl)aniline is sourced from PubChem (CID 29012556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).