2-methyl-N-[[4-(methylamino)phenyl]methyl]-1H-indol-3-amine

C17H19N3 — CID 115212643

IUPAC2-methyl-N-[[4-(methylamino)phenyl]methyl]-1H-indol-3-amine
SMILESCNc1ccc(CNc2c(C)[nH]c3ccccc23)cc1
InChIInChI=1S/C17H19N3/c1-12-17(15-5-3-4-6-16(15)20-12)19-11-13-7-9-14(18-2)10-8-13/h3-10,18-20H,11H2,1-2H3
InChIKeySMJNLUKPYMVGCS-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.13
Rot. Bonds4

About 2-methyl-N-[[4-(methylamino)phenyl]methyl]-1H-indol-3-amine

2-methyl-N-[[4-(methylamino)phenyl]methyl]-1H-indol-3-amine (PubChem CID 115212643) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-methyl-N-[[4-(methylamino)phenyl]methyl]-1H-indol-3-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-(methylamino)phenyl]methyl]-1H-indol-3-amine
PubChem CID115212643
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name2-methyl-N-[[4-(methylamino)phenyl]methyl]-1H-indol-3-amine
SMILESCNc1ccc(CNc2c(C)[nH]c3ccccc23)cc1
InChIInChI=1S/C17H19N3/c1-12-17(15-5-3-4-6-16(15)20-12)19-11-13-7-9-14(18-2)10-8-13/h3-10,18-20H,11H2,1-2H3
InChIKeySMJNLUKPYMVGCS-UHFFFAOYSA-N
XLogP4.13
TPSA39.85 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloroethyl)-2-methyl-1H-indol-3-amine
CID 115214600
1-N-(2-methyl-1H-indol-3-yl)butane-1,3-diamine
CID 115199020
3-methyl-1-N-(2-methyl-1H-indol-3-yl)butane-1,3-diamine
CID 115200369
3,3-dimethyl-N-(2-methyl-1H-indol-3-yl)butanamide
CID 146109310
2-fluoro-4-N-(2-methyl-1H-indol-3-yl)benzene-1,4-diamine
CID 115123757
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]methanamine
CID 136786730
4-[(2-methyl-1H-indol-3-yl)methyl]phenol
CID 21239687
2-N-[(3-ethyl-2-methyl-1H-indol-5-yl)methyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 171509547
N-[4-(aminomethyl)phenyl]-N,2-dimethyl-1H-indol-3-amine
CID 117041626
2-methyl-N-[(1-methylpiperazin-2-yl)methyl]-1H-indol-3-amine
CID 115238261
N-methyl-N'-[(2-methyl-1H-indol-3-yl)methyl]ethane-1,2-diamine
CID 115195851
6-N-ethyl-4-N-(2-methyl-1H-indol-3-yl)pyrimidine-4,6-diamine
CID 115265629

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(methylamino)phenyl]methyl]-1H-indol-3-amine?
The IUPAC name of 2-methyl-N-[[4-(methylamino)phenyl]methyl]-1H-indol-3-amine (CID 115212643) is 2-methyl-N-[[4-(methylamino)phenyl]methyl]-1H-indol-3-amine.
What is the SMILES notation for 2-methyl-N-[[4-(methylamino)phenyl]methyl]-1H-indol-3-amine?
The canonical SMILES for 2-methyl-N-[[4-(methylamino)phenyl]methyl]-1H-indol-3-amine is CNc1ccc(CNc2c(C)[nH]c3ccccc23)cc1.
What is the InChIKey of 2-methyl-N-[[4-(methylamino)phenyl]methyl]-1H-indol-3-amine?
The InChIKey is SMJNLUKPYMVGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-12-17(15-5-3-4-6-16(15)20-12)19-11-13-7-9-14(18-2)10-8-13/h3-10,18-20H,11H2,1-2H3.
What are the key properties of 2-methyl-N-[[4-(methylamino)phenyl]methyl]-1H-indol-3-amine?
2-methyl-N-[[4-(methylamino)phenyl]methyl]-1H-indol-3-amine has a molecular weight of 265.36 g/mol, XLogP of 4.13, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(methylamino)phenyl]methyl]-1H-indol-3-amine is sourced from PubChem (CID 115212643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).