N-[(1S)-1-(4-chlorophenyl)ethyl]-3-methylpentan-2-amine

C14H22ClN — CID 81352829

IUPACN-[(1S)-1-(4-chlorophenyl)ethyl]-3-methylpentan-2-amine
SMILESCCC(C)C(C)N[C@@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C14H22ClN/c1-5-10(2)11(3)16-12(4)13-6-8-14(15)9-7-13/h6-12,16H,5H2,1-4H3/t10?,11?,12-/m0/s1
InChIKeyGUVXZFBNXNAVLG-MCIGGMRASA-N
MW239.79 g/mol
LogP4.43
Rot. Bonds5

About N-[(1S)-1-(4-chlorophenyl)ethyl]-3-methylpentan-2-amine

N-[(1S)-1-(4-chlorophenyl)ethyl]-3-methylpentan-2-amine (PubChem CID 81352829) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)ethyl]-3-methylpentan-2-amine.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)ethyl]-3-methylpentan-2-amine
PubChem CID81352829
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC NameN-[(1S)-1-(4-chlorophenyl)ethyl]-3-methylpentan-2-amine
SMILESCCC(C)C(C)N[C@@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C14H22ClN/c1-5-10(2)11(3)16-12(4)13-6-8-14(15)9-7-13/h6-12,16H,5H2,1-4H3/t10?,11?,12-/m0/s1
InChIKeyGUVXZFBNXNAVLG-MCIGGMRASA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.79
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81352929
N-[(1S)-1-(4-chlorophenyl)ethyl]butan-2-amine
CID 81352734
N-[1-(3,4-dichlorophenyl)ethyl]-3-methylpentan-2-amine
CID 43102306
N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methylpentan-2-amine
CID 81370732
3-methyl-N-(1-pyridin-4-ylethyl)pentan-2-amine
CID 43202307
3-[[(1S)-1-(4-chlorophenyl)ethyl]amino]butan-2-ol
CID 81352452
3-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentan-2-amine
CID 63456175
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethoxyphenyl)ethanamine
CID 81356975
(2S)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]butan-1-ol
CID 28723516
1-(4-bromophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81353537
N-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine
CID 81354126
1-(4-chlorophenyl)-2-(3-methylpentan-2-ylamino)ethanol
CID 54949960

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-3-methylpentan-2-amine?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-3-methylpentan-2-amine (CID 81352829) is N-[(1S)-1-(4-chlorophenyl)ethyl]-3-methylpentan-2-amine.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)ethyl]-3-methylpentan-2-amine?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)ethyl]-3-methylpentan-2-amine is CCC(C)C(C)N[C@@H](C)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)ethyl]-3-methylpentan-2-amine?
The InChIKey is GUVXZFBNXNAVLG-MCIGGMRASA-N. The full InChI is InChI=1S/C14H22ClN/c1-5-10(2)11(3)16-12(4)13-6-8-14(15)9-7-13/h6-12,16H,5H2,1-4H3/t10?,11?,12-/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)ethyl]-3-methylpentan-2-amine?
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-methylpentan-2-amine has a molecular weight of 239.79 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)ethyl]-3-methylpentan-2-amine is sourced from PubChem (CID 81352829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).