2-[(4-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine

C15H24ClN — CID 62529324

IUPAC2-[(4-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine
SMILESCCCC(CNC(C)C)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H24ClN/c1-4-5-14(11-17-12(2)3)10-13-6-8-15(16)9-7-13/h6-9,12,14,17H,4-5,10-11H2,1-3H3
InChIKeyBHCXAGIBJYJFOP-UHFFFAOYSA-N
MW253.82 g/mol
LogP4.30
Rot. Bonds7

About 2-[(4-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine

2-[(4-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine (PubChem CID 62529324) has the molecular formula C15H24ClN and a molecular weight of 253.82 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine
PubChem CID62529324
Molecular FormulaC15H24ClN
Molecular Weight253.82 g/mol
Exact Mass253.16
IUPAC Name2-[(4-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine
SMILESCCCC(CNC(C)C)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H24ClN/c1-4-5-14(11-17-12(2)3)10-13-6-8-15(16)9-7-13/h6-9,12,14,17H,4-5,10-11H2,1-3H3
InChIKeyBHCXAGIBJYJFOP-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-[(4-chlorophenyl)methyl]-N-propan-2-ylheptan-1-amine
CID 63520826
2-[(4-chlorophenyl)methyl]-N-propan-2-ylnonan-1-amine
CID 63523502
2-[(4-chlorophenyl)methyl]-4-ethylsulfonyl-N-propan-2-ylbutan-1-amine
CID 62515746
2-[(4-chlorophenyl)methyl]-4-methoxy-N-propan-2-ylbutan-1-amine
CID 55135216
2-[(3-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 62529325
2-[(4-chlorophenyl)methyl]-6-methoxy-N-propan-2-ylhexan-1-amine
CID 104649208
2-[(4-chlorophenyl)methyl]-N-propan-2-yl-3-trimethylsilylpropan-1-amine
CID 106323200
2-[(4-chlorophenyl)methyl]-N-propan-2-yl-4-(trifluoromethylsulfanyl)butan-1-amine
CID 116617633
2-[(3,5-dimethylphenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 55194499
2-[(4-bromophenyl)methyl]-N-propan-2-ylhexan-1-amine
CID 63522974
3-[(4-chlorophenyl)methyl]hexan-1-ol
CID 143267872
2-benzyl-N-propan-2-ylhexan-1-amine
CID 62528462

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine (CID 62529324) is 2-[(4-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine is CCCC(CNC(C)C)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine?
The InChIKey is BHCXAGIBJYJFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN/c1-4-5-14(11-17-12(2)3)10-13-6-8-15(16)9-7-13/h6-9,12,14,17H,4-5,10-11H2,1-3H3.
What are the key properties of 2-[(4-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine?
2-[(4-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-[(4-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 62529324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).