N-[2-(2,5-dimethylphenyl)-2-phenylethyl]propan-1-amine

C19H25N — CID 66438254

IUPACN-[2-(2,5-dimethylphenyl)-2-phenylethyl]propan-1-amine
SMILESCCCNCC(c1ccccc1)c1cc(C)ccc1C
InChIInChI=1S/C19H25N/c1-4-12-20-14-19(17-8-6-5-7-9-17)18-13-15(2)10-11-16(18)3/h5-11,13,19-20H,4,12,14H2,1-3H3
InChIKeyVLDAMNKARLPKRR-UHFFFAOYSA-N
MW267.42 g/mol
LogP4.43
Rot. Bonds6

About N-[2-(2,5-dimethylphenyl)-2-phenylethyl]propan-1-amine

N-[2-(2,5-dimethylphenyl)-2-phenylethyl]propan-1-amine (PubChem CID 66438254) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is N-[2-(2,5-dimethylphenyl)-2-phenylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2,5-dimethylphenyl)-2-phenylethyl]propan-1-amine
PubChem CID66438254
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC NameN-[2-(2,5-dimethylphenyl)-2-phenylethyl]propan-1-amine
SMILESCCCNCC(c1ccccc1)c1cc(C)ccc1C
InChIInChI=1S/C19H25N/c1-4-12-20-14-19(17-8-6-5-7-9-17)18-13-15(2)10-11-16(18)3/h5-11,13,19-20H,4,12,14H2,1-3H3
InChIKeyVLDAMNKARLPKRR-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 54.43
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-(2-chloro-1-phenylethyl)-1,4-dimethylbenzene
CID 66436960
3-(2,4-dimethylphenyl)-2-phenyl-N-propylpropan-1-amine
CID 81027985
(3R)-3-(2,5-dimethylphenyl)-3-phenyl-N,N-di(propan-2-yl)propan-1-amine
CID 70989552
N-[1-(2,5-dimethylphenyl)ethyl]-1-phenylbutan-1-amine
CID 43720303
1-(3-methylphenyl)-2-(propylamino)ethanol
CID 62774312
1-(2,5-dimethylphenyl)-N-ethyl-1-phenylpropan-2-amine
CID 66437881
1-(2,5-dimethylphenyl)-1-phenylbutan-2-ol
CID 79299341
N-butyl-N'-(2,2-diphenylethyl)ethane-1,2-diamine
CID 23394686
1-(2,5-dimethylphenyl)-1-phenylbutan-2-one
CID 79307352
2-[[(2,5-dimethylphenyl)-phenylmethyl]amino]ethanol
CID 43151186
N-[(3-chlorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 43496153
2-benzyl-3-phenyl-N-propylpropan-1-amine
CID 62530255

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylphenyl)-2-phenylethyl]propan-1-amine?
The IUPAC name of N-[2-(2,5-dimethylphenyl)-2-phenylethyl]propan-1-amine (CID 66438254) is N-[2-(2,5-dimethylphenyl)-2-phenylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2,5-dimethylphenyl)-2-phenylethyl]propan-1-amine?
The canonical SMILES for N-[2-(2,5-dimethylphenyl)-2-phenylethyl]propan-1-amine is CCCNCC(c1ccccc1)c1cc(C)ccc1C.
What is the InChIKey of N-[2-(2,5-dimethylphenyl)-2-phenylethyl]propan-1-amine?
The InChIKey is VLDAMNKARLPKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-4-12-20-14-19(17-8-6-5-7-9-17)18-13-15(2)10-11-16(18)3/h5-11,13,19-20H,4,12,14H2,1-3H3.
What are the key properties of N-[2-(2,5-dimethylphenyl)-2-phenylethyl]propan-1-amine?
N-[2-(2,5-dimethylphenyl)-2-phenylethyl]propan-1-amine has a molecular weight of 267.42 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylphenyl)-2-phenylethyl]propan-1-amine is sourced from PubChem (CID 66438254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).