N-benzyl-2-(4-propylphenyl)ethanamine

C18H23N — CID 68807440

IUPACN-benzyl-2-(4-propylphenyl)ethanamine
SMILESCCCc1ccc(CCNCc2ccccc2)cc1
InChIInChI=1S/C18H23N/c1-2-6-16-9-11-17(12-10-16)13-14-19-15-18-7-4-3-5-8-18/h3-5,7-12,19H,2,6,13-15H2,1H3
InChIKeyKVWCWQNEEGXEDU-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.97
Rot. Bonds7

About N-benzyl-2-(4-propylphenyl)ethanamine

N-benzyl-2-(4-propylphenyl)ethanamine (PubChem CID 68807440) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is N-benzyl-2-(4-propylphenyl)ethanamine.

Molecular Properties

Compound NameN-benzyl-2-(4-propylphenyl)ethanamine
PubChem CID68807440
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC NameN-benzyl-2-(4-propylphenyl)ethanamine
SMILESCCCc1ccc(CCNCc2ccccc2)cc1
InChIInChI=1S/C18H23N/c1-2-6-16-9-11-17(12-10-16)13-14-19-15-18-7-4-3-5-8-18/h3-5,7-12,19H,2,6,13-15H2,1H3
InChIKeyKVWCWQNEEGXEDU-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
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-[(4-ethylphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 17289928
N-[(4-propylphenyl)methyl]propan-1-amine
CID 60657533
N-[[4-(2-phenylethyl)phenyl]methyl]ethanamine
CID 70892466
N-[[4-(2-methylpropyl)phenyl]methyl]-2-phenylethanamine
CID 79017859
N-benzyl-2-(4-methylsulfanylphenyl)ethanamine
CID 102197359
2-[(4-propylphenyl)methylamino]ethanethiol
CID 115223914
N-benzylpropan-1-amine;ethane;propane
CID 145164103
N-[(4-methylphenyl)methyl]-2-phenylethanamine;oxalic acid
CID 17053119
2-phenyl-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 66412851
N-[2-(4-propylphenyl)ethyl]propan-1-amine
CID 62801755
N-benzyl-2-phenylethanamine;isothiocyanic acid
CID 87452788
N-benzyl-2-phenylethanamine;butane-1,4-diamine
CID 23298616

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-propylphenyl)ethanamine?
The IUPAC name of N-benzyl-2-(4-propylphenyl)ethanamine (CID 68807440) is N-benzyl-2-(4-propylphenyl)ethanamine.
What is the SMILES notation for N-benzyl-2-(4-propylphenyl)ethanamine?
The canonical SMILES for N-benzyl-2-(4-propylphenyl)ethanamine is CCCc1ccc(CCNCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-2-(4-propylphenyl)ethanamine?
The InChIKey is KVWCWQNEEGXEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-2-6-16-9-11-17(12-10-16)13-14-19-15-18-7-4-3-5-8-18/h3-5,7-12,19H,2,6,13-15H2,1H3.
What are the key properties of N-benzyl-2-(4-propylphenyl)ethanamine?
N-benzyl-2-(4-propylphenyl)ethanamine has a molecular weight of 253.39 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-propylphenyl)ethanamine is sourced from PubChem (CID 68807440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).