(1R)-N-[[1-[(2-methylphenyl)methyl]indol-3-yl]methyl]-1-phenylbutan-1-amine

C27H30N2 — CID 124822705

IUPAC(1R)-N-[[1-[(2-methylphenyl)methyl]indol-3-yl]methyl]-1-phenylbutan-1-amine
SMILESCCC[C@@H](NCc1cn(Cc2ccccc2C)c2ccccc12)c1ccccc1
InChIInChI=1S/C27H30N2/c1-3-11-26(22-13-5-4-6-14-22)28-18-24-20-29(27-17-10-9-16-25(24)27)19-23-15-8-7-12-21(23)2/h4-10,12-17,20,26,28H,3,11,18-19H2,1-2H3/t26-/m1/s1
InChIKeyZMHAJYFMRYZNMY-AREMUKBSSA-N
MW382.55 g/mol
LogP6.63
Rot. Bonds8

About (1R)-N-[[1-[(2-methylphenyl)methyl]indol-3-yl]methyl]-1-phenylbutan-1-amine

(1R)-N-[[1-[(2-methylphenyl)methyl]indol-3-yl]methyl]-1-phenylbutan-1-amine (PubChem CID 124822705) has the molecular formula C27H30N2 and a molecular weight of 382.55 g/mol. Its IUPAC name is (1R)-N-[[1-[(2-methylphenyl)methyl]indol-3-yl]methyl]-1-phenylbutan-1-amine.

Molecular Properties

Compound Name(1R)-N-[[1-[(2-methylphenyl)methyl]indol-3-yl]methyl]-1-phenylbutan-1-amine
PubChem CID124822705
Molecular FormulaC27H30N2
Molecular Weight382.55 g/mol
Exact Mass382.24
IUPAC Name(1R)-N-[[1-[(2-methylphenyl)methyl]indol-3-yl]methyl]-1-phenylbutan-1-amine
SMILESCCC[C@@H](NCc1cn(Cc2ccccc2C)c2ccccc12)c1ccccc1
InChIInChI=1S/C27H30N2/c1-3-11-26(22-13-5-4-6-14-22)28-18-24-20-29(27-17-10-9-16-25(24)27)19-23-15-8-7-12-21(23)2/h4-10,12-17,20,26,28H,3,11,18-19H2,1-2H3/t26-/m1/s1
InChIKeyZMHAJYFMRYZNMY-AREMUKBSSA-N
XLogP6.63
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.55
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]-1-phenylbutan-1-amine
CID 41448973
(2S)-N-[[1-[(2-methylphenyl)methyl]indol-3-yl]methyl]-4-phenylbutan-2-amine
CID 124822546
1-(4-chlorophenyl)-N-[(2-methylphenyl)methyl]butan-1-amine
CID 63450778
N-[(2-fluorophenyl)methyl]-1-phenylbutan-1-amine
CID 17156263
(2S)-N-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methyl]butan-2-amine
CID 124823609
N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-4-phenylbutan-2-amine
CID 17211440
1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[1-[(2-methylphenyl)methyl]indol-3-yl]methyl]methanamine
CID 124821762
3-[(2-methylphenyl)methylamino]-3-phenylpropanenitrile
CID 55117724
N-[(2-methylphenyl)methyl]-1-phenyl-2-pyrrolidin-1-ylethanamine
CID 78849604
N-[(2,3-dimethoxyphenyl)methyl]-1-phenylbutan-1-amine
CID 17156042
N-butyl-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide
CID 20900041
4-[1-[(2-methylphenyl)methyl]indol-3-yl]butanal
CID 154688020

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[1-[(2-methylphenyl)methyl]indol-3-yl]methyl]-1-phenylbutan-1-amine?
The IUPAC name of (1R)-N-[[1-[(2-methylphenyl)methyl]indol-3-yl]methyl]-1-phenylbutan-1-amine (CID 124822705) is (1R)-N-[[1-[(2-methylphenyl)methyl]indol-3-yl]methyl]-1-phenylbutan-1-amine.
What is the SMILES notation for (1R)-N-[[1-[(2-methylphenyl)methyl]indol-3-yl]methyl]-1-phenylbutan-1-amine?
The canonical SMILES for (1R)-N-[[1-[(2-methylphenyl)methyl]indol-3-yl]methyl]-1-phenylbutan-1-amine is CCC[C@@H](NCc1cn(Cc2ccccc2C)c2ccccc12)c1ccccc1.
What is the InChIKey of (1R)-N-[[1-[(2-methylphenyl)methyl]indol-3-yl]methyl]-1-phenylbutan-1-amine?
The InChIKey is ZMHAJYFMRYZNMY-AREMUKBSSA-N. The full InChI is InChI=1S/C27H30N2/c1-3-11-26(22-13-5-4-6-14-22)28-18-24-20-29(27-17-10-9-16-25(24)27)19-23-15-8-7-12-21(23)2/h4-10,12-17,20,26,28H,3,11,18-19H2,1-2H3/t26-/m1/s1.
What are the key properties of (1R)-N-[[1-[(2-methylphenyl)methyl]indol-3-yl]methyl]-1-phenylbutan-1-amine?
(1R)-N-[[1-[(2-methylphenyl)methyl]indol-3-yl]methyl]-1-phenylbutan-1-amine has a molecular weight of 382.55 g/mol, XLogP of 6.63, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[1-[(2-methylphenyl)methyl]indol-3-yl]methyl]-1-phenylbutan-1-amine is sourced from PubChem (CID 124822705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).