N-[(4-chlorophenyl)methyl]-4-methylpentan-2-amine

C13H20ClN — CID 21355577

IUPACN-[(4-chlorophenyl)methyl]-4-methylpentan-2-amine
SMILESCC(C)CC(C)NCc1ccc(Cl)cc1
InChIInChI=1S/C13H20ClN/c1-10(2)8-11(3)15-9-12-4-6-13(14)7-5-12/h4-7,10-11,15H,8-9H2,1-3H3
InChIKeyDJRYVNJTWJHNDR-UHFFFAOYSA-N
MW225.76 g/mol
LogP3.86
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-4-methylpentan-2-amine

N-[(4-chlorophenyl)methyl]-4-methylpentan-2-amine (PubChem CID 21355577) has the molecular formula C13H20ClN and a molecular weight of 225.76 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-methylpentan-2-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-methylpentan-2-amine
PubChem CID21355577
Molecular FormulaC13H20ClN
Molecular Weight225.76 g/mol
Exact Mass225.13
IUPAC NameN-[(4-chlorophenyl)methyl]-4-methylpentan-2-amine
SMILESCC(C)CC(C)NCc1ccc(Cl)cc1
InChIInChI=1S/C13H20ClN/c1-10(2)8-11(3)15-9-12-4-6-13(14)7-5-12/h4-7,10-11,15H,8-9H2,1-3H3
InChIKeyDJRYVNJTWJHNDR-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

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Related Compounds

N-[(4-ethylphenyl)methyl]-4-methylpentan-2-amine
CID 21355581
4-[[1-(4-chlorophenyl)propan-2-ylamino]methyl]phenol
CID 43677594
1-(4-chlorophenyl)-N-[(4-phenylphenyl)methyl]propan-2-amine
CID 67641931
N-[(3-bromo-4-fluorophenyl)methyl]-4-methylpentan-2-amine
CID 43371868
N-[(3-chloro-4-methoxyphenyl)methyl]-4-methylpentan-2-amine
CID 65022730
methyl 2-[(4-chlorophenyl)methylamino]-4-methylpentanoate
CID 43230599
N-[(4-chlorophenyl)methyl]hex-5-en-2-amine
CID 75525488
N-[(4-bromo-3-fluorophenyl)methyl]-4-methylpentan-2-amine
CID 81436383
N"-[(4-chlorophenyl)methyl]methanetriamine
CID 143471410
trans-(1R,2R)-1-N-[(4-chlorophenyl)methyl]-2-N-(4-methylpentan-2-yl)cyclohexane-1,2-diamine
CID 102435304
4-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pentan-2-amine
CID 61241748
N-[[4-(4-chlorophenoxy)phenyl]methyl]propan-2-amine
CID 43282998

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-methylpentan-2-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-methylpentan-2-amine (CID 21355577) is N-[(4-chlorophenyl)methyl]-4-methylpentan-2-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-methylpentan-2-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-methylpentan-2-amine is CC(C)CC(C)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-methylpentan-2-amine?
The InChIKey is DJRYVNJTWJHNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN/c1-10(2)8-11(3)15-9-12-4-6-13(14)7-5-12/h4-7,10-11,15H,8-9H2,1-3H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-4-methylpentan-2-amine?
N-[(4-chlorophenyl)methyl]-4-methylpentan-2-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-[(4-chlorophenyl)methyl]-4-methylpentan-2-amine is sourced from PubChem (CID 21355577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).