N-[1-(4-chlorophenyl)propan-2-yl]-2-methylbutan-1-amine

C14H22ClN — CID 43677577

IUPACN-[1-(4-chlorophenyl)propan-2-yl]-2-methylbutan-1-amine
SMILESCCC(C)CNC(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H22ClN/c1-4-11(2)10-16-12(3)9-13-5-7-14(15)8-6-13/h5-8,11-12,16H,4,9-10H2,1-3H3
InChIKeyPLOLNEGIGBTWIR-UHFFFAOYSA-N
MW239.79 g/mol
LogP3.91
Rot. Bonds6

About N-[1-(4-chlorophenyl)propan-2-yl]-2-methylbutan-1-amine

N-[1-(4-chlorophenyl)propan-2-yl]-2-methylbutan-1-amine (PubChem CID 43677577) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propan-2-yl]-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propan-2-yl]-2-methylbutan-1-amine
PubChem CID43677577
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC NameN-[1-(4-chlorophenyl)propan-2-yl]-2-methylbutan-1-amine
SMILESCCC(C)CNC(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H22ClN/c1-4-11(2)10-16-12(3)9-13-5-7-14(15)8-6-13/h5-8,11-12,16H,4,9-10H2,1-3H3
InChIKeyPLOLNEGIGBTWIR-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-1-[[(2R)-1-(4-chlorophenyl)propan-2-yl]amino]propan-2-ol
CID 124515229
1-(4-chlorophenyl)-N-(2-methylsulfinylpropyl)propan-2-amine
CID 103911457
N-(2-chloroethyl)-1-(4-chlorophenyl)propan-2-amine;hydrochloride
CID 160563522
4-[[1-(4-chlorophenyl)propan-2-ylamino]methyl]phenol
CID 43677594
(2S)-2-methyl-3-phenyl-N-[(2R)-1-phenylpropan-2-yl]propan-1-amine
CID 14397821
1-(4-chlorophenyl)-4-methylhexan-2-ol
CID 62607986
1-(2-bromo-4-methylhexyl)-4-chlorobenzene
CID 114876742
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-ethylpropan-2-amine
CID 115495018
1-(4-chlorophenyl)-N-[(4-phenylphenyl)methyl]propan-2-amine
CID 67641931
1-(4-chlorophenyl)-N-ethyl-3-methylpentan-2-amine
CID 61066271
1-N-[1-(4-chlorophenyl)propan-2-yl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 103910216
N-[1-(4-chlorophenyl)propan-2-yl]pent-3-yn-1-amine
CID 104928140

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propan-2-yl]-2-methylbutan-1-amine?
The IUPAC name of N-[1-(4-chlorophenyl)propan-2-yl]-2-methylbutan-1-amine (CID 43677577) is N-[1-(4-chlorophenyl)propan-2-yl]-2-methylbutan-1-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)propan-2-yl]-2-methylbutan-1-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)propan-2-yl]-2-methylbutan-1-amine is CCC(C)CNC(C)Cc1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)propan-2-yl]-2-methylbutan-1-amine?
The InChIKey is PLOLNEGIGBTWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN/c1-4-11(2)10-16-12(3)9-13-5-7-14(15)8-6-13/h5-8,11-12,16H,4,9-10H2,1-3H3.
What are the key properties of N-[1-(4-chlorophenyl)propan-2-yl]-2-methylbutan-1-amine?
N-[1-(4-chlorophenyl)propan-2-yl]-2-methylbutan-1-amine has a molecular weight of 239.79 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propan-2-yl]-2-methylbutan-1-amine is sourced from PubChem (CID 43677577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).