N-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropan-1-amine

C19H25N — CID 43081126

IUPACN-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropan-1-amine
SMILESCc1ccc(C)c(C(C)NCCCc2ccccc2)c1
InChIInChI=1S/C19H25N/c1-15-11-12-16(2)19(14-15)17(3)20-13-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-12,14,17,20H,7,10,13H2,1-3H3
InChIKeyBJEMSXPSBLSOGV-UHFFFAOYSA-N
MW267.42 g/mol
LogP4.59
Rot. Bonds6

About N-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropan-1-amine

N-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropan-1-amine (PubChem CID 43081126) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is N-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropan-1-amine
PubChem CID43081126
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC NameN-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropan-1-amine
SMILESCc1ccc(C)c(C(C)NCCCc2ccccc2)c1
InChIInChI=1S/C19H25N/c1-15-11-12-16(2)19(14-15)17(3)20-13-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-12,14,17,20H,7,10,13H2,1-3H3
InChIKeyBJEMSXPSBLSOGV-UHFFFAOYSA-N
XLogP4.59
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 ≤ 54.59
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

N-[(1S)-1-(3-methylphenyl)ethyl]-3-phenylpropan-1-amine
CID 81363177
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-phenylpropan-1-amine
CID 43121361
N-[1-(4-methylphenyl)ethyl]-4-phenylbutan-1-amine
CID 114333277
1-(2,5-dimethylphenyl)-N-methyl-4-phenylbutan-1-amine
CID 115849503
4-(3-methylphenyl)-N-(3-phenylpropyl)butan-2-amine
CID 63420680
N-[(1S)-1-(3-methylphenyl)ethyl]-4-phenylbutan-1-amine
CID 104893840
N-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropanamide
CID 17327195
N-(1-naphthalen-1-ylethyl)-3-phenylpropan-1-amine;hydrochloride
CID 175678820
3-phenyl-N-propan-2-ylpropan-1-amine
CID 11412689
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-phenylbutan-1-amine
CID 114333297
3-phenyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine
CID 43767139
1-(2,5-dimethylphenyl)-N-ethyl-3-phenylpropan-1-amine
CID 43490830

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropan-1-amine?
The IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropan-1-amine (CID 43081126) is N-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropan-1-amine.
What is the SMILES notation for N-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropan-1-amine?
The canonical SMILES for N-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropan-1-amine is Cc1ccc(C)c(C(C)NCCCc2ccccc2)c1.
What is the InChIKey of N-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropan-1-amine?
The InChIKey is BJEMSXPSBLSOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-15-11-12-16(2)19(14-15)17(3)20-13-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-12,14,17,20H,7,10,13H2,1-3H3.
What are the key properties of N-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropan-1-amine?
N-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropan-1-amine has a molecular weight of 267.42 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropan-1-amine is sourced from PubChem (CID 43081126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).