N-ethyl-4-(4-propylphenyl)butan-1-amine

C15H25N — CID 65305630

IUPACN-ethyl-4-(4-propylphenyl)butan-1-amine
SMILESCCCc1ccc(CCCCNCC)cc1
InChIInChI=1S/C15H25N/c1-3-7-14-9-11-15(12-10-14)8-5-6-13-16-4-2/h9-12,16H,3-8,13H2,1-2H3
InChIKeyIJHBHLNWVORRFA-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.57
Rot. Bonds8

About N-ethyl-4-(4-propylphenyl)butan-1-amine

N-ethyl-4-(4-propylphenyl)butan-1-amine (PubChem CID 65305630) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is N-ethyl-4-(4-propylphenyl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-(4-propylphenyl)butan-1-amine
PubChem CID65305630
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC NameN-ethyl-4-(4-propylphenyl)butan-1-amine
SMILESCCCc1ccc(CCCCNCC)cc1
InChIInChI=1S/C15H25N/c1-3-7-14-9-11-15(12-10-14)8-5-6-13-16-4-2/h9-12,16H,3-8,13H2,1-2H3
InChIKeyIJHBHLNWVORRFA-UHFFFAOYSA-N
XLogP3.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.57
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-ethyl-17-phenylheptadecan-1-amine
CID 139804977
N-propyl-3-(4-propylphenyl)propan-1-amine
CID 64503973
N-ethyl-5-(4-propylphenoxy)pentan-1-amine
CID 62548075
N-ethyl-3-(4-fluorophenyl)propan-1-amine
CID 58997646
N-ethyl-5-(4-propan-2-yloxyphenyl)pentan-1-amine
CID 65300939
6-(4-butylphenoxy)-N-ethylhexan-1-amine
CID 115493364
5-(4-fluorophenyl)-N-propylpentan-1-amine
CID 65300450
6-(4-fluorophenyl)-N-propylhexan-1-amine
CID 65308488
N-ethyl-4-(1H-pyrrol-3-yl)butan-1-amine
CID 98013882
N-(4-phenylbutyl)hexan-1-amine
CID 54151992
11-phenyl-N-undecylundecan-1-amine
CID 175593224
5-phenyl-N-propylpentan-1-amine
CID 62530615

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-propylphenyl)butan-1-amine?
The IUPAC name of N-ethyl-4-(4-propylphenyl)butan-1-amine (CID 65305630) is N-ethyl-4-(4-propylphenyl)butan-1-amine.
What is the SMILES notation for N-ethyl-4-(4-propylphenyl)butan-1-amine?
The canonical SMILES for N-ethyl-4-(4-propylphenyl)butan-1-amine is CCCc1ccc(CCCCNCC)cc1.
What is the InChIKey of N-ethyl-4-(4-propylphenyl)butan-1-amine?
The InChIKey is IJHBHLNWVORRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-3-7-14-9-11-15(12-10-14)8-5-6-13-16-4-2/h9-12,16H,3-8,13H2,1-2H3.
What are the key properties of N-ethyl-4-(4-propylphenyl)butan-1-amine?
N-ethyl-4-(4-propylphenyl)butan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-propylphenyl)butan-1-amine is sourced from PubChem (CID 65305630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).