1-chloro-4-methyl-N-(3-phenylpropyl)pentan-3-amine

C15H24ClN — CID 106353921

IUPAC1-chloro-4-methyl-N-(3-phenylpropyl)pentan-3-amine
SMILESCC(C)C(CCCl)NCCCc1ccccc1
InChIInChI=1S/C15H24ClN/c1-13(2)15(10-11-16)17-12-6-9-14-7-4-3-5-8-14/h3-5,7-8,13,15,17H,6,9-12H2,1-2H3
InChIKeyOPMULEAQAULXDL-UHFFFAOYSA-N
MW253.82 g/mol
LogP3.86
Rot. Bonds8

About 1-chloro-4-methyl-N-(3-phenylpropyl)pentan-3-amine

1-chloro-4-methyl-N-(3-phenylpropyl)pentan-3-amine (PubChem CID 106353921) has the molecular formula C15H24ClN and a molecular weight of 253.82 g/mol. Its IUPAC name is 1-chloro-4-methyl-N-(3-phenylpropyl)pentan-3-amine.

Molecular Properties

Compound Name1-chloro-4-methyl-N-(3-phenylpropyl)pentan-3-amine
PubChem CID106353921
Molecular FormulaC15H24ClN
Molecular Weight253.82 g/mol
Exact Mass253.16
IUPAC Name1-chloro-4-methyl-N-(3-phenylpropyl)pentan-3-amine
SMILESCC(C)C(CCCl)NCCCc1ccccc1
InChIInChI=1S/C15H24ClN/c1-13(2)15(10-11-16)17-12-6-9-14-7-4-3-5-8-14/h3-5,7-8,13,15,17H,6,9-12H2,1-2H3
InChIKeyOPMULEAQAULXDL-UHFFFAOYSA-N
XLogP3.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.82
LogP ≤ 53.86
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

1-N,1-N,3-trimethyl-2-N-(3-phenylpropyl)butane-1,2-diamine
CID 54953976
2-methyl-N-(4-phenylbutyl)pentan-3-amine
CID 114333255
3-phenyl-N-propan-2-ylpropan-1-amine
CID 11412689
5-methyl-N-(3-phenylpropyl)hexan-2-amine
CID 43082174
4-chloro-1-methoxy-N-(4-phenylbutyl)butan-2-amine
CID 114150757
4-chloro-3-methyl-N-(4-phenylbutyl)butan-2-amine
CID 114334751
1-chloro-3-phenyl-N-(3-phenylpropyl)propan-2-amine
CID 65025981
1-chloro-N-[(3-chlorophenyl)methyl]-4-methylpentan-3-amine
CID 106353845
2-chloro-N-(3-phenylpropyl)propan-1-amine
CID 65024000
3-(3-phenylpropylamino)butanenitrile
CID 60905257
N-[(3-bromophenyl)methyl]-1-chloro-4-methylpentan-3-amine
CID 106353947
N-(2-chloroethyl)-3-phenylpropan-1-amine;hydrochloride
CID 141396605

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-methyl-N-(3-phenylpropyl)pentan-3-amine?
The IUPAC name of 1-chloro-4-methyl-N-(3-phenylpropyl)pentan-3-amine (CID 106353921) is 1-chloro-4-methyl-N-(3-phenylpropyl)pentan-3-amine.
What is the SMILES notation for 1-chloro-4-methyl-N-(3-phenylpropyl)pentan-3-amine?
The canonical SMILES for 1-chloro-4-methyl-N-(3-phenylpropyl)pentan-3-amine is CC(C)C(CCCl)NCCCc1ccccc1.
What is the InChIKey of 1-chloro-4-methyl-N-(3-phenylpropyl)pentan-3-amine?
The InChIKey is OPMULEAQAULXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN/c1-13(2)15(10-11-16)17-12-6-9-14-7-4-3-5-8-14/h3-5,7-8,13,15,17H,6,9-12H2,1-2H3.
What are the key properties of 1-chloro-4-methyl-N-(3-phenylpropyl)pentan-3-amine?
1-chloro-4-methyl-N-(3-phenylpropyl)pentan-3-amine has a molecular weight of 253.82 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-methyl-N-(3-phenylpropyl)pentan-3-amine is sourced from PubChem (CID 106353921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).