N-[(4-ethylphenyl)methyl]propan-1-amine

C12H19N — CID 4716655

IUPACN-[(4-ethylphenyl)methyl]propan-1-amine
SMILESCCCNCc1ccc(CC)cc1
InChIInChI=1S/C12H19N/c1-3-9-13-10-12-7-5-11(4-2)6-8-12/h5-8,13H,3-4,9-10H2,1-2H3
InChIKeyWNAKIBVJACHNRU-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.75
Rot. Bonds5

About N-[(4-ethylphenyl)methyl]propan-1-amine

N-[(4-ethylphenyl)methyl]propan-1-amine (PubChem CID 4716655) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]propan-1-amine
PubChem CID4716655
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC NameN-[(4-ethylphenyl)methyl]propan-1-amine
SMILESCCCNCc1ccc(CC)cc1
InChIInChI=1S/C12H19N/c1-3-9-13-10-12-7-5-11(4-2)6-8-12/h5-8,13H,3-4,9-10H2,1-2H3
InChIKeyWNAKIBVJACHNRU-UHFFFAOYSA-N
XLogP2.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.75
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-propylphenyl)methyl]propan-1-amine
CID 60657533
N-[(4-ethylphenyl)methyl]pentan-1-amine;hydrochloride
CID 17291031
2-bromo-N-[(4-ethylphenyl)methyl]ethanamine
CID 115572456
N-[[4-(chloromethyl)phenyl]methyl]propan-1-amine
CID 107232944
N-[2-(4-ethylphenyl)ethyl]propan-1-amine
CID 62550246
N-[(4-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 3576210
N-[[4-(2-methylpropyl)phenyl]methyl]propan-1-amine
CID 63888318
N'-[(4-ethylphenyl)methyl]-N-methylbutane-1,4-diamine
CID 115201878
3-chloro-N-[(4-ethylphenyl)methyl]propan-1-amine
CID 60663290
N,N'-bis[3-[(4-ethylphenyl)methylamino]propyl]octane-1,8-diamine;tetrahydrochloride
CID 14791320
N-benzylpropan-1-amine;ethane;propane
CID 145164103
N-[(4-ethylphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 17289928

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-ethylphenyl)methyl]propan-1-amine (CID 4716655) is N-[(4-ethylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-ethylphenyl)methyl]propan-1-amine is CCCNCc1ccc(CC)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]propan-1-amine?
The InChIKey is WNAKIBVJACHNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-3-9-13-10-12-7-5-11(4-2)6-8-12/h5-8,13H,3-4,9-10H2,1-2H3.
What are the key properties of N-[(4-ethylphenyl)methyl]propan-1-amine?
N-[(4-ethylphenyl)methyl]propan-1-amine has a molecular weight of 177.29 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 4716655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).