2-chloro-N-(1H-indol-5-ylmethyl)-5-methylaniline

C16H15ClN2 — CID 107630712

IUPAC2-chloro-N-(1H-indol-5-ylmethyl)-5-methylaniline
SMILESCc1ccc(Cl)c(NCc2ccc3[nH]ccc3c2)c1
InChIInChI=1S/C16H15ClN2/c1-11-2-4-14(17)16(8-11)19-10-12-3-5-15-13(9-12)6-7-18-15/h2-9,18-19H,10H2,1H3
InChIKeyBEOYTIXXAKZZJX-UHFFFAOYSA-N
MW270.76 g/mol
LogP4.74
Rot. Bonds3

About 2-chloro-N-(1H-indol-5-ylmethyl)-5-methylaniline

2-chloro-N-(1H-indol-5-ylmethyl)-5-methylaniline (PubChem CID 107630712) has the molecular formula C16H15ClN2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-chloro-N-(1H-indol-5-ylmethyl)-5-methylaniline.

Molecular Properties

Compound Name2-chloro-N-(1H-indol-5-ylmethyl)-5-methylaniline
PubChem CID107630712
Molecular FormulaC16H15ClN2
Molecular Weight270.76 g/mol
Exact Mass270.09
IUPAC Name2-chloro-N-(1H-indol-5-ylmethyl)-5-methylaniline
SMILESCc1ccc(Cl)c(NCc2ccc3[nH]ccc3c2)c1
InChIInChI=1S/C16H15ClN2/c1-11-2-4-14(17)16(8-11)19-10-12-3-5-15-13(9-12)6-7-18-15/h2-9,18-19H,10H2,1H3
InChIKeyBEOYTIXXAKZZJX-UHFFFAOYSA-N
XLogP4.74
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-(1H-indol-5-ylmethyl)-5-methylaniline
CID 102911718
N-(1H-indol-5-ylmethyl)-3,5-dimethylaniline;hydrochloride
CID 17221817
4-chloro-N-(1H-indol-5-ylmethyl)-2-iodoaniline
CID 107631753
2-chloro-5-(1H-indol-5-ylmethylamino)benzamide
CID 102909673
N-[(4-methylphenyl)methyl]-1H-indol-5-amine
CID 28662234
4-chloro-3-fluoro-N-(1H-indol-5-ylmethyl)aniline;hydrochloride
CID 17221843
N-benzyl-2-chloro-5-methylaniline
CID 83290853
2-chloro-N-[(4-chloro-3-nitrophenyl)methyl]-5-methylaniline
CID 107634704
N-(1H-indol-6-ylmethyl)-5-methyl-2-nitroaniline
CID 102911772
2-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-5-methylaniline
CID 107631106
2-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylaniline
CID 107634326
2,3,4-trifluoro-N-(1H-indol-5-ylmethyl)aniline
CID 102909199

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1H-indol-5-ylmethyl)-5-methylaniline?
The IUPAC name of 2-chloro-N-(1H-indol-5-ylmethyl)-5-methylaniline (CID 107630712) is 2-chloro-N-(1H-indol-5-ylmethyl)-5-methylaniline.
What is the SMILES notation for 2-chloro-N-(1H-indol-5-ylmethyl)-5-methylaniline?
The canonical SMILES for 2-chloro-N-(1H-indol-5-ylmethyl)-5-methylaniline is Cc1ccc(Cl)c(NCc2ccc3[nH]ccc3c2)c1.
What is the InChIKey of 2-chloro-N-(1H-indol-5-ylmethyl)-5-methylaniline?
The InChIKey is BEOYTIXXAKZZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2/c1-11-2-4-14(17)16(8-11)19-10-12-3-5-15-13(9-12)6-7-18-15/h2-9,18-19H,10H2,1H3.
What are the key properties of 2-chloro-N-(1H-indol-5-ylmethyl)-5-methylaniline?
2-chloro-N-(1H-indol-5-ylmethyl)-5-methylaniline has a molecular weight of 270.76 g/mol, XLogP of 4.74, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1H-indol-5-ylmethyl)-5-methylaniline is sourced from PubChem (CID 107630712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).