4-chloro-N-[(4-propan-2-ylphenyl)methyl]pentan-1-amine

C15H24ClN — CID 106122009

IUPAC4-chloro-N-[(4-propan-2-ylphenyl)methyl]pentan-1-amine
SMILESCC(Cl)CCCNCc1ccc(C(C)C)cc1
InChIInChI=1S/C15H24ClN/c1-12(2)15-8-6-14(7-9-15)11-17-10-4-5-13(3)16/h6-9,12-13,17H,4-5,10-11H2,1-3H3
InChIKeyPDJUIGOLMVVYKG-UHFFFAOYSA-N
MW253.82 g/mol
LogP4.31
Rot. Bonds7

About 4-chloro-N-[(4-propan-2-ylphenyl)methyl]pentan-1-amine

4-chloro-N-[(4-propan-2-ylphenyl)methyl]pentan-1-amine (PubChem CID 106122009) has the molecular formula C15H24ClN and a molecular weight of 253.82 g/mol. Its IUPAC name is 4-chloro-N-[(4-propan-2-ylphenyl)methyl]pentan-1-amine.

Molecular Properties

Compound Name4-chloro-N-[(4-propan-2-ylphenyl)methyl]pentan-1-amine
PubChem CID106122009
Molecular FormulaC15H24ClN
Molecular Weight253.82 g/mol
Exact Mass253.16
IUPAC Name4-chloro-N-[(4-propan-2-ylphenyl)methyl]pentan-1-amine
SMILESCC(Cl)CCCNCc1ccc(C(C)C)cc1
InChIInChI=1S/C15H24ClN/c1-12(2)15-8-6-14(7-9-15)11-17-10-4-5-13(3)16/h6-9,12-13,17H,4-5,10-11H2,1-3H3
InChIKeyPDJUIGOLMVVYKG-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.82
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-iodo-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine
CID 106844555
N-[(4-propan-2-ylphenyl)methyl]pentan-1-amine;hydrochloride
CID 17331857
N'-[3-[(4-propan-2-ylphenyl)methylamino]propyl]butane-1,4-diamine
CID 58965144
2-fluoro-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 80695833
4-[(4-propan-2-ylphenyl)methylamino]butanamide
CID 60863561
5-methylsulfanyl-N-[(4-propan-2-ylphenyl)methyl]pentan-1-amine
CID 114126756
N'-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propane-1,3-diamine
CID 113410382
methyl 4-[(4-propan-2-ylphenyl)methylamino]butanoate
CID 54917794
4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]pentan-1-amine
CID 106121926
2-(2-chloroethoxy)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 65023956
4-(2-methoxyethoxy)-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine
CID 115600157
2-methyl-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 4725253

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-propan-2-ylphenyl)methyl]pentan-1-amine?
The IUPAC name of 4-chloro-N-[(4-propan-2-ylphenyl)methyl]pentan-1-amine (CID 106122009) is 4-chloro-N-[(4-propan-2-ylphenyl)methyl]pentan-1-amine.
What is the SMILES notation for 4-chloro-N-[(4-propan-2-ylphenyl)methyl]pentan-1-amine?
The canonical SMILES for 4-chloro-N-[(4-propan-2-ylphenyl)methyl]pentan-1-amine is CC(Cl)CCCNCc1ccc(C(C)C)cc1.
What is the InChIKey of 4-chloro-N-[(4-propan-2-ylphenyl)methyl]pentan-1-amine?
The InChIKey is PDJUIGOLMVVYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN/c1-12(2)15-8-6-14(7-9-15)11-17-10-4-5-13(3)16/h6-9,12-13,17H,4-5,10-11H2,1-3H3.
What are the key properties of 4-chloro-N-[(4-propan-2-ylphenyl)methyl]pentan-1-amine?
4-chloro-N-[(4-propan-2-ylphenyl)methyl]pentan-1-amine has a molecular weight of 253.82 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-propan-2-ylphenyl)methyl]pentan-1-amine is sourced from PubChem (CID 106122009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).