N-[1-(3-chlorophenyl)propan-2-yl]-4-methylpentan-2-amine

C15H24ClN — CID 43694863

IUPACN-[1-(3-chlorophenyl)propan-2-yl]-4-methylpentan-2-amine
SMILESCC(C)CC(C)NC(C)Cc1cccc(Cl)c1
InChIInChI=1S/C15H24ClN/c1-11(2)8-12(3)17-13(4)9-14-6-5-7-15(16)10-14/h5-7,10-13,17H,8-9H2,1-4H3
InChIKeyYVUQOIKVQWFNIH-UHFFFAOYSA-N
MW253.82 g/mol
LogP4.30
Rot. Bonds6

About N-[1-(3-chlorophenyl)propan-2-yl]-4-methylpentan-2-amine

N-[1-(3-chlorophenyl)propan-2-yl]-4-methylpentan-2-amine (PubChem CID 43694863) has the molecular formula C15H24ClN and a molecular weight of 253.82 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propan-2-yl]-4-methylpentan-2-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propan-2-yl]-4-methylpentan-2-amine
PubChem CID43694863
Molecular FormulaC15H24ClN
Molecular Weight253.82 g/mol
Exact Mass253.16
IUPAC NameN-[1-(3-chlorophenyl)propan-2-yl]-4-methylpentan-2-amine
SMILESCC(C)CC(C)NC(C)Cc1cccc(Cl)c1
InChIInChI=1S/C15H24ClN/c1-11(2)8-12(3)17-13(4)9-14-6-5-7-15(16)10-14/h5-7,10-13,17H,8-9H2,1-4H3
InChIKeyYVUQOIKVQWFNIH-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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

N-[1-(3-chlorophenyl)propan-2-yl]pentan-2-amine
CID 43694851
(2S)-2-[1-(3-chlorophenyl)propan-2-ylamino]propanoic acid
CID 122038931
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)propan-2-yl]propan-1-amine
CID 43694879
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-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-2-amine
CID 81366808
1-(3-chlorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-2-amine
CID 43694717
1-(3-chlorophenyl)-N-(2-methoxy-1-phenylethyl)propan-2-amine
CID 103463748
1-(3-chlorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]propan-2-amine
CID 43694819
1-(3-chlorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]propan-2-amine
CID 54881795
3-chloro-N-(4-methylpentan-2-yl)aniline
CID 43111106
1-(3-chlorophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]propan-2-amine
CID 115713565

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propan-2-yl]-4-methylpentan-2-amine?
The IUPAC name of N-[1-(3-chlorophenyl)propan-2-yl]-4-methylpentan-2-amine (CID 43694863) is N-[1-(3-chlorophenyl)propan-2-yl]-4-methylpentan-2-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)propan-2-yl]-4-methylpentan-2-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)propan-2-yl]-4-methylpentan-2-amine is CC(C)CC(C)NC(C)Cc1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)propan-2-yl]-4-methylpentan-2-amine?
The InChIKey is YVUQOIKVQWFNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN/c1-11(2)8-12(3)17-13(4)9-14-6-5-7-15(16)10-14/h5-7,10-13,17H,8-9H2,1-4H3.
What are the key properties of N-[1-(3-chlorophenyl)propan-2-yl]-4-methylpentan-2-amine?
N-[1-(3-chlorophenyl)propan-2-yl]-4-methylpentan-2-amine has a molecular weight of 253.82 g/mol, XLogP of 4.30, 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]-4-methylpentan-2-amine is sourced from PubChem (CID 43694863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).