N-[(4-ethylphenyl)methyl]pentan-1-amine;hydrochloride

C14H24ClN — CID 17291031

IUPACN-[(4-ethylphenyl)methyl]pentan-1-amine;hydrochloride
SMILESCCCCCNCc1ccc(CC)cc1.Cl
InChIInChI=1S/C14H23N.ClH/c1-3-5-6-11-15-12-14-9-7-13(4-2)8-10-14;/h7-10,15H,3-6,11-12H2,1-2H3;1H
InChIKeyWVTZOYZFRVISMO-UHFFFAOYSA-N
MW241.81 g/mol
LogP3.95
Rot. Bonds7

About N-[(4-ethylphenyl)methyl]pentan-1-amine;hydrochloride

N-[(4-ethylphenyl)methyl]pentan-1-amine;hydrochloride (PubChem CID 17291031) has the molecular formula C14H24ClN and a molecular weight of 241.81 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]pentan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]pentan-1-amine;hydrochloride
PubChem CID17291031
Molecular FormulaC14H24ClN
Molecular Weight241.81 g/mol
Exact Mass241.16
IUPAC NameN-[(4-ethylphenyl)methyl]pentan-1-amine;hydrochloride
SMILESCCCCCNCc1ccc(CC)cc1.Cl
InChIInChI=1S/C14H23N.ClH/c1-3-5-6-11-15-12-14-9-7-13(4-2)8-10-14;/h7-10,15H,3-6,11-12H2,1-2H3;1H
InChIKeyWVTZOYZFRVISMO-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.81
LogP ≤ 53.95
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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]pentan-1-amine;hydrochloride?
The IUPAC name of N-[(4-ethylphenyl)methyl]pentan-1-amine;hydrochloride (CID 17291031) is N-[(4-ethylphenyl)methyl]pentan-1-amine;hydrochloride.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]pentan-1-amine;hydrochloride?
The canonical SMILES for N-[(4-ethylphenyl)methyl]pentan-1-amine;hydrochloride is CCCCCNCc1ccc(CC)cc1.Cl.
What is the InChIKey of N-[(4-ethylphenyl)methyl]pentan-1-amine;hydrochloride?
The InChIKey is WVTZOYZFRVISMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N.ClH/c1-3-5-6-11-15-12-14-9-7-13(4-2)8-10-14;/h7-10,15H,3-6,11-12H2,1-2H3;1H.
What are the key properties of N-[(4-ethylphenyl)methyl]pentan-1-amine;hydrochloride?
N-[(4-ethylphenyl)methyl]pentan-1-amine;hydrochloride has a molecular weight of 241.81 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]pentan-1-amine;hydrochloride is sourced from PubChem (CID 17291031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).