1-[(2-chloro-4-methylphenyl)methyl]indol-6-amine

C16H15ClN2 — CID 106863378

IUPAC1-[(2-chloro-4-methylphenyl)methyl]indol-6-amine
SMILESCc1ccc(Cn2ccc3ccc(N)cc32)c(Cl)c1
InChIInChI=1S/C16H15ClN2/c1-11-2-3-13(15(17)8-11)10-19-7-6-12-4-5-14(18)9-16(12)19/h2-9H,10,18H2,1H3
InChIKeyRLJPAUBVVXKQTA-UHFFFAOYSA-N
MW270.76 g/mol
LogP4.23
Rot. Bonds2

About 1-[(2-chloro-4-methylphenyl)methyl]indol-6-amine

1-[(2-chloro-4-methylphenyl)methyl]indol-6-amine (PubChem CID 106863378) has the molecular formula C16H15ClN2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 1-[(2-chloro-4-methylphenyl)methyl]indol-6-amine.

Molecular Properties

Compound Name1-[(2-chloro-4-methylphenyl)methyl]indol-6-amine
PubChem CID106863378
Molecular FormulaC16H15ClN2
Molecular Weight270.76 g/mol
Exact Mass270.09
IUPAC Name1-[(2-chloro-4-methylphenyl)methyl]indol-6-amine
SMILESCc1ccc(Cn2ccc3ccc(N)cc32)c(Cl)c1
InChIInChI=1S/C16H15ClN2/c1-11-2-3-13(15(17)8-11)10-19-7-6-12-4-5-14(18)9-16(12)19/h2-9H,10,18H2,1H3
InChIKeyRLJPAUBVVXKQTA-UHFFFAOYSA-N
XLogP4.23
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-bromo-1-[(2-chloro-4-methylphenyl)methyl]indole
CID 106869999
1-[(2-chloro-4-methylphenyl)methyl]-5-methylindole
CID 106870004
1-[(4-bromo-2-fluorophenyl)methyl]indol-6-amine
CID 43438690
4-chloro-3-[(6-fluoroindol-1-yl)methyl]aniline
CID 43169100
4-[(6-aminoindol-1-yl)methyl]-3-methylbenzonitrile
CID 114480884
4-chloro-1-[(2-chloro-4-methylphenyl)methyl]indole
CID 106870007
1-benzylindol-6-amine
CID 69325204
1-[(2-fluorophenyl)methyl]indol-6-amine
CID 43308904
3-bromo-5-[(6-methylindol-1-yl)methyl]aniline
CID 103350079
6-bromo-1-[(2,5-dimethylphenyl)methyl]indole
CID 116621819
6-chloro-1-[(2-methoxy-5-methylphenyl)methyl]indole
CID 116620555
[4-[(6-aminoindol-1-yl)methyl]phenyl]methanol;hydrochloride
CID 126796353

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-methylphenyl)methyl]indol-6-amine?
The IUPAC name of 1-[(2-chloro-4-methylphenyl)methyl]indol-6-amine (CID 106863378) is 1-[(2-chloro-4-methylphenyl)methyl]indol-6-amine.
What is the SMILES notation for 1-[(2-chloro-4-methylphenyl)methyl]indol-6-amine?
The canonical SMILES for 1-[(2-chloro-4-methylphenyl)methyl]indol-6-amine is Cc1ccc(Cn2ccc3ccc(N)cc32)c(Cl)c1.
What is the InChIKey of 1-[(2-chloro-4-methylphenyl)methyl]indol-6-amine?
The InChIKey is RLJPAUBVVXKQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2/c1-11-2-3-13(15(17)8-11)10-19-7-6-12-4-5-14(18)9-16(12)19/h2-9H,10,18H2,1H3.
What are the key properties of 1-[(2-chloro-4-methylphenyl)methyl]indol-6-amine?
1-[(2-chloro-4-methylphenyl)methyl]indol-6-amine has a molecular weight of 270.76 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-methylphenyl)methyl]indol-6-amine is sourced from PubChem (CID 106863378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).