N-[(3-chlorophenyl)methyl]-2-methylpentan-3-amine

C13H20ClN — CID 61468636

IUPACN-[(3-chlorophenyl)methyl]-2-methylpentan-3-amine
SMILESCCC(NCc1cccc(Cl)c1)C(C)C
InChIInChI=1S/C13H20ClN/c1-4-13(10(2)3)15-9-11-6-5-7-12(14)8-11/h5-8,10,13,15H,4,9H2,1-3H3
InChIKeyVTHCEMBBWRWOGD-UHFFFAOYSA-N
MW225.76 g/mol
LogP3.86
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-2-methylpentan-3-amine

N-[(3-chlorophenyl)methyl]-2-methylpentan-3-amine (PubChem CID 61468636) has the molecular formula C13H20ClN and a molecular weight of 225.76 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-methylpentan-3-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-methylpentan-3-amine
PubChem CID61468636
Molecular FormulaC13H20ClN
Molecular Weight225.76 g/mol
Exact Mass225.13
IUPAC NameN-[(3-chlorophenyl)methyl]-2-methylpentan-3-amine
SMILESCCC(NCc1cccc(Cl)c1)C(C)C
InChIInChI=1S/C13H20ClN/c1-4-13(10(2)3)15-9-11-6-5-7-12(14)8-11/h5-8,10,13,15H,4,9H2,1-3H3
InChIKeyVTHCEMBBWRWOGD-UHFFFAOYSA-N
XLogP3.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.76
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(3-chlorophenyl)methyl]-2-methylpentan-3-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-chloro-N-[(3-chlorophenyl)methyl]-4-methylpentan-3-amine
CID 106353845
N-[(3-chlorophenyl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 65050293
2-methyl-N-[(3-methylphenyl)methyl]pentan-3-amine
CID 43768749
3-[(2-methylpentan-3-ylamino)methyl]phenol
CID 61468670
1-chloro-N-[(3-chlorophenyl)methyl]propan-2-amine
CID 65025963
1-(3-chlorophenyl)-N,3-dimethylbutan-2-amine
CID 60819864
2-[(3-chlorophenyl)methylamino]butan-1-ol
CID 4711843
(2S)-2-N-[(3-chlorophenyl)methyl]propane-1,2-diamine
CID 104867783
N-[(3-chlorophenyl)methyl]heptan-4-amine
CID 63476473
N-[(3-chlorophenyl)methyl]-1-methylsulfanylbutan-2-amine
CID 115900016
N-[(3-chlorophenyl)methyl]-1-methylsulfanylpropan-2-amine
CID 115639887
N-[(3-chlorophenyl)methyl]heptan-3-amine
CID 4712076

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-methylpentan-3-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-methylpentan-3-amine (CID 61468636) is N-[(3-chlorophenyl)methyl]-2-methylpentan-3-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-methylpentan-3-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-methylpentan-3-amine is CCC(NCc1cccc(Cl)c1)C(C)C.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-methylpentan-3-amine?
The InChIKey is VTHCEMBBWRWOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN/c1-4-13(10(2)3)15-9-11-6-5-7-12(14)8-11/h5-8,10,13,15H,4,9H2,1-3H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-2-methylpentan-3-amine?
N-[(3-chlorophenyl)methyl]-2-methylpentan-3-amine has a molecular weight of 225.76 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-methylpentan-3-amine is sourced from PubChem (CID 61468636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).