N-methyl-3-[(3R)-3-methyl-1-phenyl-2H-indol-3-yl]propan-1-amine

C19H24N2 — CID 76964067

IUPACN-methyl-3-[(3R)-3-methyl-1-phenyl-2H-indol-3-yl]propan-1-amine
SMILESCNCCC[C@@]1(C)CN(c2ccccc2)c2ccccc21
InChIInChI=1S/C19H24N2/c1-19(13-8-14-20-2)15-21(16-9-4-3-5-10-16)18-12-7-6-11-17(18)19/h3-7,9-12,20H,8,13-15H2,1-2H3/t19-/m0/s1
InChIKeyYFAIJBZEDDOCAN-IBGZPJMESA-N
MW280.42 g/mol
LogP4.10
Rot. Bonds5

About N-methyl-3-[(3R)-3-methyl-1-phenyl-2H-indol-3-yl]propan-1-amine

N-methyl-3-[(3R)-3-methyl-1-phenyl-2H-indol-3-yl]propan-1-amine (PubChem CID 76964067) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is N-methyl-3-[(3R)-3-methyl-1-phenyl-2H-indol-3-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[(3R)-3-methyl-1-phenyl-2H-indol-3-yl]propan-1-amine
PubChem CID76964067
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC NameN-methyl-3-[(3R)-3-methyl-1-phenyl-2H-indol-3-yl]propan-1-amine
SMILESCNCCC[C@@]1(C)CN(c2ccccc2)c2ccccc21
InChIInChI=1S/C19H24N2/c1-19(13-8-14-20-2)15-21(16-9-4-3-5-10-16)18-12-7-6-11-17(18)19/h3-7,9-12,20H,8,13-15H2,1-2H3/t19-/m0/s1
InChIKeyYFAIJBZEDDOCAN-IBGZPJMESA-N
XLogP4.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(3R)-3-methyl-1-phenyl-2H-indol-3-yl]propan-1-amine?
The IUPAC name of N-methyl-3-[(3R)-3-methyl-1-phenyl-2H-indol-3-yl]propan-1-amine (CID 76964067) is N-methyl-3-[(3R)-3-methyl-1-phenyl-2H-indol-3-yl]propan-1-amine.
What is the SMILES notation for N-methyl-3-[(3R)-3-methyl-1-phenyl-2H-indol-3-yl]propan-1-amine?
The canonical SMILES for N-methyl-3-[(3R)-3-methyl-1-phenyl-2H-indol-3-yl]propan-1-amine is CNCCC[C@@]1(C)CN(c2ccccc2)c2ccccc21.
What is the InChIKey of N-methyl-3-[(3R)-3-methyl-1-phenyl-2H-indol-3-yl]propan-1-amine?
The InChIKey is YFAIJBZEDDOCAN-IBGZPJMESA-N. The full InChI is InChI=1S/C19H24N2/c1-19(13-8-14-20-2)15-21(16-9-4-3-5-10-16)18-12-7-6-11-17(18)19/h3-7,9-12,20H,8,13-15H2,1-2H3/t19-/m0/s1.
What are the key properties of N-methyl-3-[(3R)-3-methyl-1-phenyl-2H-indol-3-yl]propan-1-amine?
N-methyl-3-[(3R)-3-methyl-1-phenyl-2H-indol-3-yl]propan-1-amine has a molecular weight of 280.42 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(3R)-3-methyl-1-phenyl-2H-indol-3-yl]propan-1-amine is sourced from PubChem (CID 76964067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).