N-[1-(3-chlorophenyl)propan-2-yl]pentan-2-amine

C14H22ClN — CID 43694851

IUPACN-[1-(3-chlorophenyl)propan-2-yl]pentan-2-amine
SMILESCCCC(C)NC(C)Cc1cccc(Cl)c1
InChIInChI=1S/C14H22ClN/c1-4-6-11(2)16-12(3)9-13-7-5-8-14(15)10-13/h5,7-8,10-12,16H,4,6,9H2,1-3H3
InChIKeyQBIFTXBWEVTBLE-UHFFFAOYSA-N
MW239.79 g/mol
LogP4.05
Rot. Bonds6

About N-[1-(3-chlorophenyl)propan-2-yl]pentan-2-amine

N-[1-(3-chlorophenyl)propan-2-yl]pentan-2-amine (PubChem CID 43694851) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propan-2-yl]pentan-2-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propan-2-yl]pentan-2-amine
PubChem CID43694851
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC NameN-[1-(3-chlorophenyl)propan-2-yl]pentan-2-amine
SMILESCCCC(C)NC(C)Cc1cccc(Cl)c1
InChIInChI=1S/C14H22ClN/c1-4-6-11(2)16-12(3)9-13-7-5-8-14(15)10-13/h5,7-8,10-12,16H,4,6,9H2,1-3H3
InChIKeyQBIFTXBWEVTBLE-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.79
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-chlorophenyl)propan-2-yl]-4-methylpentan-2-amine
CID 43694863
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)propan-2-yl]propan-1-amine
CID 43694879
(2S)-2-[1-(3-chlorophenyl)propan-2-ylamino]propanoic acid
CID 122038931
1-(3-chlorophenyl)-3-methylhexan-2-ol
CID 63017925
2-[(3-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 62529325
1-(3-chlorophenyl)-N-[1-(2-methylphenyl)ethyl]propan-2-amine
CID 43694861
1-(3-chlorophenyl)-N-[1-(4-iodophenyl)ethyl]propan-2-amine
CID 43783490
N-[2-[(3-chlorophenyl)methoxy]ethyl]pentan-2-amine
CID 65125514
N-[(3-chlorophenyl)methyl]heptan-4-amine
CID 63476473
2-amino-N-[1-(3-chlorophenyl)propan-2-yl]hexanamide
CID 60854385
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-2-amine
CID 81366808
1-(3-chlorophenyl)-N-(2-methoxy-1-phenylethyl)propan-2-amine
CID 103463748

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propan-2-yl]pentan-2-amine?
The IUPAC name of N-[1-(3-chlorophenyl)propan-2-yl]pentan-2-amine (CID 43694851) is N-[1-(3-chlorophenyl)propan-2-yl]pentan-2-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)propan-2-yl]pentan-2-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)propan-2-yl]pentan-2-amine is CCCC(C)NC(C)Cc1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)propan-2-yl]pentan-2-amine?
The InChIKey is QBIFTXBWEVTBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN/c1-4-6-11(2)16-12(3)9-13-7-5-8-14(15)10-13/h5,7-8,10-12,16H,4,6,9H2,1-3H3.
What are the key properties of N-[1-(3-chlorophenyl)propan-2-yl]pentan-2-amine?
N-[1-(3-chlorophenyl)propan-2-yl]pentan-2-amine has a molecular weight of 239.79 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)propan-2-yl]pentan-2-amine is sourced from PubChem (CID 43694851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).