2-[(3-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine

C15H24ClN — CID 62529325

IUPAC2-[(3-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine
SMILESCCCC(CNC(C)C)Cc1cccc(Cl)c1
InChIInChI=1S/C15H24ClN/c1-4-6-14(11-17-12(2)3)9-13-7-5-8-15(16)10-13/h5,7-8,10,12,14,17H,4,6,9,11H2,1-3H3
InChIKeyUXFRLQPGPBHYAB-UHFFFAOYSA-N
MW253.82 g/mol
LogP4.30
Rot. Bonds7

About 2-[(3-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine

2-[(3-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine (PubChem CID 62529325) has the molecular formula C15H24ClN and a molecular weight of 253.82 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine
PubChem CID62529325
Molecular FormulaC15H24ClN
Molecular Weight253.82 g/mol
Exact Mass253.16
IUPAC Name2-[(3-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine
SMILESCCCC(CNC(C)C)Cc1cccc(Cl)c1
InChIInChI=1S/C15H24ClN/c1-4-6-14(11-17-12(2)3)9-13-7-5-8-15(16)10-13/h5,7-8,10,12,14,17H,4,6,9,11H2,1-3H3
InChIKeyUXFRLQPGPBHYAB-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-chlorophenyl)methyl]-5-methyl-N-propan-2-ylhexan-1-amine
CID 63523534
2-[(4-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 62529324
2-[(3-chlorophenyl)methyl]-4-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine
CID 106456688
2-[(3-chlorophenyl)methyl]-4-(oxolan-2-yl)-N-propan-2-ylbutan-1-amine
CID 65166180
2-[(3-chlorophenyl)methyl]-N-ethyl-4-methylheptan-1-amine
CID 55195075
4-(3-chlorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 64665001
N-[1-(3-chlorophenyl)propan-2-yl]pentan-2-amine
CID 43694851
1-(3-chlorophenyl)-3-methylhexan-2-ol
CID 63017925
2-[(3-chlorophenyl)methyl]-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 63522996
2-[(3,5-dimethylphenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 55194499
N-tert-butyl-2-[(3-chlorophenyl)methyl]hexan-1-amine
CID 63522455
2-benzyl-N-propan-2-ylhexan-1-amine
CID 62528462

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine (CID 62529325) is 2-[(3-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine is CCCC(CNC(C)C)Cc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine?
The InChIKey is UXFRLQPGPBHYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN/c1-4-6-14(11-17-12(2)3)9-13-7-5-8-15(16)10-13/h5,7-8,10,12,14,17H,4,6,9,11H2,1-3H3.
What are the key properties of 2-[(3-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine?
2-[(3-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine has a molecular weight of 253.82 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 62529325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).