2-methyl-3-phenyl-N-(2-phenylethyl)propan-1-amine

C18H23N — CID 22955490

IUPAC2-methyl-3-phenyl-N-(2-phenylethyl)propan-1-amine
SMILESCC(CNCCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H23N/c1-16(14-18-10-6-3-7-11-18)15-19-13-12-17-8-4-2-5-9-17/h2-11,16,19H,12-15H2,1H3
InChIKeyZWDUOXXHFYCCLR-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.70
Rot. Bonds7

About 2-methyl-3-phenyl-N-(2-phenylethyl)propan-1-amine

2-methyl-3-phenyl-N-(2-phenylethyl)propan-1-amine (PubChem CID 22955490) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-methyl-3-phenyl-N-(2-phenylethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-phenyl-N-(2-phenylethyl)propan-1-amine
PubChem CID22955490
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name2-methyl-3-phenyl-N-(2-phenylethyl)propan-1-amine
SMILESCC(CNCCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H23N/c1-16(14-18-10-6-3-7-11-18)15-19-13-12-17-8-4-2-5-9-17/h2-11,16,19H,12-15H2,1H3
InChIKeyZWDUOXXHFYCCLR-UHFFFAOYSA-N
XLogP3.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethyl-N-(2-phenylethyl)pentan-1-amine
CID 22955485
ethane;N-ethyl-2-methyl-3-phenylpropan-1-amine
CID 91246337
2-bromo-N-(2-phenylethyl)propan-1-amine;hydrobromide
CID 21127990
2-methyl-N-(4-phenylbutyl)butan-1-amine
CID 115887248
N-[[4-(2-methylpropyl)phenyl]methyl]-2-phenylethanamine
CID 79017859
2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]-3-phenylpropan-1-amine
CID 56619995
(2S)-2-methyl-3-phenyl-N-[(2R)-1-phenylpropan-2-yl]propan-1-amine
CID 14397821
2-bromo-N-(2-phenylethyl)butan-1-amine
CID 21127993
(2R,3S)-3-amino-4-phenyl-1-(2-phenylethylamino)butan-2-ol
CID 68607283
1-(4-methylphenyl)-2-(2-phenylethylamino)ethanol
CID 112501683
2-chloro-N-(3-phenylpropyl)propan-1-amine
CID 65024000
3-methoxy-2-methyl-N-(4-phenylbutyl)propan-1-amine
CID 114333309

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenyl-N-(2-phenylethyl)propan-1-amine?
The IUPAC name of 2-methyl-3-phenyl-N-(2-phenylethyl)propan-1-amine (CID 22955490) is 2-methyl-3-phenyl-N-(2-phenylethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-phenyl-N-(2-phenylethyl)propan-1-amine?
The canonical SMILES for 2-methyl-3-phenyl-N-(2-phenylethyl)propan-1-amine is CC(CNCCc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-methyl-3-phenyl-N-(2-phenylethyl)propan-1-amine?
The InChIKey is ZWDUOXXHFYCCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-16(14-18-10-6-3-7-11-18)15-19-13-12-17-8-4-2-5-9-17/h2-11,16,19H,12-15H2,1H3.
What are the key properties of 2-methyl-3-phenyl-N-(2-phenylethyl)propan-1-amine?
2-methyl-3-phenyl-N-(2-phenylethyl)propan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenyl-N-(2-phenylethyl)propan-1-amine is sourced from PubChem (CID 22955490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).