N-[2-(4-chlorophenyl)ethyl]-2,4-dimethylpentan-1-amine

C15H24ClN — CID 114200118

IUPACN-[2-(4-chlorophenyl)ethyl]-2,4-dimethylpentan-1-amine
SMILESCC(C)CC(C)CNCCc1ccc(Cl)cc1
InChIInChI=1S/C15H24ClN/c1-12(2)10-13(3)11-17-9-8-14-4-6-15(16)7-5-14/h4-7,12-13,17H,8-11H2,1-3H3
InChIKeyTVXWEEMYXSIOGX-UHFFFAOYSA-N
MW253.82 g/mol
LogP4.15
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-2,4-dimethylpentan-1-amine

N-[2-(4-chlorophenyl)ethyl]-2,4-dimethylpentan-1-amine (PubChem CID 114200118) has the molecular formula C15H24ClN and a molecular weight of 253.82 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2,4-dimethylpentan-1-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2,4-dimethylpentan-1-amine
PubChem CID114200118
Molecular FormulaC15H24ClN
Molecular Weight253.82 g/mol
Exact Mass253.16
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2,4-dimethylpentan-1-amine
SMILESCC(C)CC(C)CNCCc1ccc(Cl)cc1
InChIInChI=1S/C15H24ClN/c1-12(2)10-13(3)11-17-9-8-14-4-6-15(16)7-5-14/h4-7,12-13,17H,8-11H2,1-3H3
InChIKeyTVXWEEMYXSIOGX-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
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-[2-(4-chlorophenyl)ethyl]-2-phenylpropan-1-amine;hydrochloride
CID 17208769
2-[[2-(4-chlorophenyl)ethylamino]methyl]-3-methylbutanoic acid
CID 115250406
N-[2-(4-chlorophenyl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine
CID 57374009
2-(4-chlorophenyl)-N-ethylethanamine;hydrochloride
CID 69026677
2-methyl-N'-[2-(4-propan-2-ylphenyl)ethyl]propane-1,3-diamine
CID 115198696
2-methyl-N-[2-(4-methylphenyl)ethyl]propan-1-amine
CID 60983758
2-(4-chlorophenyl)-N-[2-(4-ethenylphenyl)ethyl]propan-1-amine
CID 144821853
N-[2-(3-chloro-4-fluorophenyl)ethyl]-2-methylbutane-1,4-diamine
CID 115202766
N-[2-(4-chlorophenyl)ethyl]prop-2-yn-1-amine
CID 60687940
N-[2-(4-fluorophenyl)ethyl]-2-methylbutane-1,4-diamine
CID 115202719
2-amino-3-[2-(4-chlorophenyl)ethylamino]propanamide
CID 103247068
2-amino-3-[2-(4-chlorophenyl)ethylamino]propanoic acid
CID 64582443

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2,4-dimethylpentan-1-amine?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2,4-dimethylpentan-1-amine (CID 114200118) is N-[2-(4-chlorophenyl)ethyl]-2,4-dimethylpentan-1-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2,4-dimethylpentan-1-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2,4-dimethylpentan-1-amine is CC(C)CC(C)CNCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2,4-dimethylpentan-1-amine?
The InChIKey is TVXWEEMYXSIOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN/c1-12(2)10-13(3)11-17-9-8-14-4-6-15(16)7-5-14/h4-7,12-13,17H,8-11H2,1-3H3.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2,4-dimethylpentan-1-amine?
N-[2-(4-chlorophenyl)ethyl]-2,4-dimethylpentan-1-amine has a molecular weight of 253.82 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2,4-dimethylpentan-1-amine is sourced from PubChem (CID 114200118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).