2-[(4-chlorophenyl)methyl]-4-(2-methylpropoxy)butan-1-amine

C15H24ClNO — CID 106456503

IUPAC2-[(4-chlorophenyl)methyl]-4-(2-methylpropoxy)butan-1-amine
SMILESCC(C)COCCC(CN)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H24ClNO/c1-12(2)11-18-8-7-14(10-17)9-13-3-5-15(16)6-4-13/h3-6,12,14H,7-11,17H2,1-2H3
InChIKeyDBIKQDSTQORHPP-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.52
Rot. Bonds8

About 2-[(4-chlorophenyl)methyl]-4-(2-methylpropoxy)butan-1-amine

2-[(4-chlorophenyl)methyl]-4-(2-methylpropoxy)butan-1-amine (PubChem CID 106456503) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-4-(2-methylpropoxy)butan-1-amine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-4-(2-methylpropoxy)butan-1-amine
PubChem CID106456503
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name2-[(4-chlorophenyl)methyl]-4-(2-methylpropoxy)butan-1-amine
SMILESCC(C)COCCC(CN)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H24ClNO/c1-12(2)11-18-8-7-14(10-17)9-13-3-5-15(16)6-4-13/h3-6,12,14H,7-11,17H2,1-2H3
InChIKeyDBIKQDSTQORHPP-UHFFFAOYSA-N
XLogP3.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(4-chlorophenyl)methyl]-4-(2-methylpropoxy)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(chloromethyl)-4-(2-methylpropoxy)butyl]-4-methylbenzene
CID 106459563
2-[(4-chlorophenyl)methyl]-3-(4-propan-2-ylphenyl)propan-1-amine
CID 63497236
2-[(4-chlorophenyl)methyl]-3-(4-ethylphenyl)propan-1-amine
CID 63498649
2-[(3-chlorophenyl)methyl]-4-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine
CID 106456688
4-butoxy-2-[(4-chlorophenyl)methyl]butan-1-ol
CID 66058003
1-(4-chlorophenyl)-4-ethoxybutan-2-amine
CID 61077786
2-[(4-bromophenyl)methyl]-4-methoxybutan-1-amine
CID 62529185
2-[(4-methoxyphenyl)methyl]-4-propan-2-yloxybutan-1-amine
CID 55083614
2-[(3-bromophenyl)methyl]-4-(3-methylbutoxy)butan-1-amine
CID 62529993
2-[(4-chlorophenyl)methyl]-4-methoxy-N-propan-2-ylbutan-1-amine
CID 55135216
2-[(3-chlorophenyl)methyl]-4-(2-methylpropoxy)-N-propylbutan-1-amine
CID 106456686
1-(4-chlorophenyl)-3-methylbutan-2-amine
CID 50986534

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-4-(2-methylpropoxy)butan-1-amine?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-4-(2-methylpropoxy)butan-1-amine (CID 106456503) is 2-[(4-chlorophenyl)methyl]-4-(2-methylpropoxy)butan-1-amine.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-4-(2-methylpropoxy)butan-1-amine?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-4-(2-methylpropoxy)butan-1-amine is CC(C)COCCC(CN)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-4-(2-methylpropoxy)butan-1-amine?
The InChIKey is DBIKQDSTQORHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-12(2)11-18-8-7-14(10-17)9-13-3-5-15(16)6-4-13/h3-6,12,14H,7-11,17H2,1-2H3.
What are the key properties of 2-[(4-chlorophenyl)methyl]-4-(2-methylpropoxy)butan-1-amine?
2-[(4-chlorophenyl)methyl]-4-(2-methylpropoxy)butan-1-amine has a molecular weight of 269.82 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-4-(2-methylpropoxy)butan-1-amine is sourced from PubChem (CID 106456503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).