N-methyl-3-(3-methyl-1H-indol-2-yl)-3-phenylpropan-1-amine

C19H22N2 — CID 58088428

IUPACN-methyl-3-(3-methyl-1H-indol-2-yl)-3-phenylpropan-1-amine
SMILESCNCCC(c1ccccc1)c1[nH]c2ccccc2c1C
InChIInChI=1S/C19H22N2/c1-14-16-10-6-7-11-18(16)21-19(14)17(12-13-20-2)15-8-4-3-5-9-15/h3-11,17,20-21H,12-13H2,1-2H3
InChIKeyIMRKHBMUTOPLRH-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.22
Rot. Bonds5

About N-methyl-3-(3-methyl-1H-indol-2-yl)-3-phenylpropan-1-amine

N-methyl-3-(3-methyl-1H-indol-2-yl)-3-phenylpropan-1-amine (PubChem CID 58088428) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-methyl-3-(3-methyl-1H-indol-2-yl)-3-phenylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(3-methyl-1H-indol-2-yl)-3-phenylpropan-1-amine
PubChem CID58088428
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC NameN-methyl-3-(3-methyl-1H-indol-2-yl)-3-phenylpropan-1-amine
SMILESCNCCC(c1ccccc1)c1[nH]c2ccccc2c1C
InChIInChI=1S/C19H22N2/c1-14-16-10-6-7-11-18(16)21-19(14)17(12-13-20-2)15-8-4-3-5-9-15/h3-11,17,20-21H,12-13H2,1-2H3
InChIKeyIMRKHBMUTOPLRH-UHFFFAOYSA-N
XLogP4.22
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-3,3-diphenylpropan-1-amine;hydrochloride
CID 21467371
3-(4-chloro-1H-indol-2-yl)-N-methyl-3-phenylpropan-1-amine
CID 58088597
(3S)-1-(1-methylimidazol-2-yl)-3-(3-methyl-1H-indol-2-yl)-3-phenylpropan-1-one
CID 132991302
N-methyl-3-(7-methyl-1H-indol-3-yl)-3-phenylpropan-1-amine
CID 58088625
2-amino-1-(3-methyl-1H-indol-2-yl)ethanol
CID 112708805
(3S)-N-methyl-3-(1-methylindol-3-yl)-3-phenylpropan-1-amine
CID 58088577
3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 58088410
3-(4-methoxy-1H-indol-6-yl)-N-methyl-3-phenylpropan-1-amine;hydrochloride
CID 25261735
1-(9H-carbazol-3-yl)-4-(methylamino)butane-1,2-diol
CID 171891210
N-methyl-3-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine
CID 16725756
(3R)-3-(4-chloro-1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine
CID 58088531
2,3-dimethyl-1H-indole;ethane;1H-pyrrole
CID 159131567

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3-methyl-1H-indol-2-yl)-3-phenylpropan-1-amine?
The IUPAC name of N-methyl-3-(3-methyl-1H-indol-2-yl)-3-phenylpropan-1-amine (CID 58088428) is N-methyl-3-(3-methyl-1H-indol-2-yl)-3-phenylpropan-1-amine.
What is the SMILES notation for N-methyl-3-(3-methyl-1H-indol-2-yl)-3-phenylpropan-1-amine?
The canonical SMILES for N-methyl-3-(3-methyl-1H-indol-2-yl)-3-phenylpropan-1-amine is CNCCC(c1ccccc1)c1[nH]c2ccccc2c1C.
What is the InChIKey of N-methyl-3-(3-methyl-1H-indol-2-yl)-3-phenylpropan-1-amine?
The InChIKey is IMRKHBMUTOPLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-14-16-10-6-7-11-18(16)21-19(14)17(12-13-20-2)15-8-4-3-5-9-15/h3-11,17,20-21H,12-13H2,1-2H3.
What are the key properties of N-methyl-3-(3-methyl-1H-indol-2-yl)-3-phenylpropan-1-amine?
N-methyl-3-(3-methyl-1H-indol-2-yl)-3-phenylpropan-1-amine has a molecular weight of 278.40 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3-methyl-1H-indol-2-yl)-3-phenylpropan-1-amine is sourced from PubChem (CID 58088428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).