(3S)-N-methyl-3-(1-methylindol-3-yl)-3-phenylpropan-1-amine

C19H22N2 — CID 58088577

IUPAC(3S)-N-methyl-3-(1-methylindol-3-yl)-3-phenylpropan-1-amine
SMILESCNCC[C@@H](c1ccccc1)c1cn(C)c2ccccc12
InChIInChI=1S/C19H22N2/c1-20-13-12-16(15-8-4-3-5-9-15)18-14-21(2)19-11-7-6-10-17(18)19/h3-11,14,16,20H,12-13H2,1-2H3/t16-/m0/s1
InChIKeyMBUWYPBFTHYNSL-INIZCTEOSA-N
MW278.40 g/mol
LogP3.92
Rot. Bonds5

About (3S)-N-methyl-3-(1-methylindol-3-yl)-3-phenylpropan-1-amine

(3S)-N-methyl-3-(1-methylindol-3-yl)-3-phenylpropan-1-amine (PubChem CID 58088577) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (3S)-N-methyl-3-(1-methylindol-3-yl)-3-phenylpropan-1-amine.

Molecular Properties

Compound Name(3S)-N-methyl-3-(1-methylindol-3-yl)-3-phenylpropan-1-amine
PubChem CID58088577
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name(3S)-N-methyl-3-(1-methylindol-3-yl)-3-phenylpropan-1-amine
SMILESCNCC[C@@H](c1ccccc1)c1cn(C)c2ccccc12
InChIInChI=1S/C19H22N2/c1-20-13-12-16(15-8-4-3-5-9-15)18-14-21(2)19-11-7-6-10-17(18)19/h3-11,14,16,20H,12-13H2,1-2H3/t16-/m0/s1
InChIKeyMBUWYPBFTHYNSL-INIZCTEOSA-N
XLogP3.92
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-N-methyl-3-(1-methylindol-3-yl)-3-phenylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-dimethyl-1-(1-methylindol-3-yl)butane-1,4-diamine
CID 116949455
1-methyl-3-[1-(1-methylindol-3-yl)butyl]indole
CID 22019303
acetic acid;2-(1-methylindol-3-yl)-2-phenylethanamine
CID 75539416
[2-(1-methylindol-3-yl)-2-phenylethyl]azanium acetate
CID 155823409
N'-methyl-1-(1-methylindol-3-yl)ethane-1,2-diamine
CID 116932472
3-(1-methylindol-3-yl)-3-phenyl-N-(2-phenylethyl)propanamide
CID 42774761
1-methyl-3-propan-2-ylindole
CID 10942942
N-cyclopropyl-3-(1-methylindol-3-yl)-3-phenylpropanamide
CID 42774766
2-methyl-6,6-bis(1-methylindol-3-yl)hexan-3-ol
CID 102282092
3-[1,1-bis(1-methylindol-3-yl)hexan-3-yl]-1-methylindole
CID 101399617
3-(1-chloroethyl)-1-methylindole
CID 174876256
3,3,3-trifluoro-N-methyl-2-(1-methylindol-3-yl)propan-1-amine
CID 83920000

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-3-(1-methylindol-3-yl)-3-phenylpropan-1-amine?
The IUPAC name of (3S)-N-methyl-3-(1-methylindol-3-yl)-3-phenylpropan-1-amine (CID 58088577) is (3S)-N-methyl-3-(1-methylindol-3-yl)-3-phenylpropan-1-amine.
What is the SMILES notation for (3S)-N-methyl-3-(1-methylindol-3-yl)-3-phenylpropan-1-amine?
The canonical SMILES for (3S)-N-methyl-3-(1-methylindol-3-yl)-3-phenylpropan-1-amine is CNCC[C@@H](c1ccccc1)c1cn(C)c2ccccc12.
What is the InChIKey of (3S)-N-methyl-3-(1-methylindol-3-yl)-3-phenylpropan-1-amine?
The InChIKey is MBUWYPBFTHYNSL-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22N2/c1-20-13-12-16(15-8-4-3-5-9-15)18-14-21(2)19-11-7-6-10-17(18)19/h3-11,14,16,20H,12-13H2,1-2H3/t16-/m0/s1.
What are the key properties of (3S)-N-methyl-3-(1-methylindol-3-yl)-3-phenylpropan-1-amine?
(3S)-N-methyl-3-(1-methylindol-3-yl)-3-phenylpropan-1-amine has a molecular weight of 278.40 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-3-(1-methylindol-3-yl)-3-phenylpropan-1-amine is sourced from PubChem (CID 58088577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).