N-[(6-chloro-1H-indol-3-yl)methyl]-3-methylaniline

C16H15ClN2 — CID 78968568

IUPACN-[(6-chloro-1H-indol-3-yl)methyl]-3-methylaniline
SMILESCc1cccc(NCc2c[nH]c3cc(Cl)ccc23)c1
InChIInChI=1S/C16H15ClN2/c1-11-3-2-4-14(7-11)18-9-12-10-19-16-8-13(17)5-6-15(12)16/h2-8,10,18-19H,9H2,1H3
InChIKeyJYGCYSPLXAKOQI-UHFFFAOYSA-N
MW270.76 g/mol
LogP4.74
Rot. Bonds3

About N-[(6-chloro-1H-indol-3-yl)methyl]-3-methylaniline

N-[(6-chloro-1H-indol-3-yl)methyl]-3-methylaniline (PubChem CID 78968568) has the molecular formula C16H15ClN2 and a molecular weight of 270.76 g/mol. Its IUPAC name is N-[(6-chloro-1H-indol-3-yl)methyl]-3-methylaniline.

Molecular Properties

Compound NameN-[(6-chloro-1H-indol-3-yl)methyl]-3-methylaniline
PubChem CID78968568
Molecular FormulaC16H15ClN2
Molecular Weight270.76 g/mol
Exact Mass270.09
IUPAC NameN-[(6-chloro-1H-indol-3-yl)methyl]-3-methylaniline
SMILESCc1cccc(NCc2c[nH]c3cc(Cl)ccc23)c1
InChIInChI=1S/C16H15ClN2/c1-11-3-2-4-14(7-11)18-9-12-10-19-16-8-13(17)5-6-15(12)16/h2-8,10,18-19H,9H2,1H3
InChIKeyJYGCYSPLXAKOQI-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

3,5-dichloro-N-[(6-chloro-1H-indol-3-yl)methyl]-4-fluoroaniline
CID 107572650
N-[(6-chloro-1H-indol-3-yl)methyl]-3-methylpentan-3-amine
CID 106328237
N-[(4-chlorophenyl)methyl]-3-methylaniline
CID 15533172
3-(bromomethyl)-6-chloro-1H-indole
CID 131288743
6-chloro-3-(2,2-dimethylpropyl)-1H-indole
CID 59153141
N-[(6-chloro-1H-indol-3-yl)methyl]-2-methoxypropan-1-amine
CID 102695801
3-bromo-N-(1H-indol-3-ylmethyl)-5-methylaniline
CID 107582123
1-[6-(3-chlorophenyl)-1H-indol-3-yl]-N-methylmethanamine
CID 134357369
N-methyl-1-(6-methyl-1H-indol-3-yl)methanamine
CID 68579797
N-[(6-chloro-1H-indol-3-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107647861
N-[(6-chloro-1H-indol-3-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 78968570
N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-(3-methylphenyl)acetamide
CID 113085465

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1H-indol-3-yl)methyl]-3-methylaniline?
The IUPAC name of N-[(6-chloro-1H-indol-3-yl)methyl]-3-methylaniline (CID 78968568) is N-[(6-chloro-1H-indol-3-yl)methyl]-3-methylaniline.
What is the SMILES notation for N-[(6-chloro-1H-indol-3-yl)methyl]-3-methylaniline?
The canonical SMILES for N-[(6-chloro-1H-indol-3-yl)methyl]-3-methylaniline is Cc1cccc(NCc2c[nH]c3cc(Cl)ccc23)c1.
What is the InChIKey of N-[(6-chloro-1H-indol-3-yl)methyl]-3-methylaniline?
The InChIKey is JYGCYSPLXAKOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2/c1-11-3-2-4-14(7-11)18-9-12-10-19-16-8-13(17)5-6-15(12)16/h2-8,10,18-19H,9H2,1H3.
What are the key properties of N-[(6-chloro-1H-indol-3-yl)methyl]-3-methylaniline?
N-[(6-chloro-1H-indol-3-yl)methyl]-3-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 N-[(6-chloro-1H-indol-3-yl)methyl]-3-methylaniline is sourced from PubChem (CID 78968568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).