N-[1-(4-chlorophenyl)-2-methylpropyl]heptan-4-amine

C17H28ClN — CID 43687596

IUPACN-[1-(4-chlorophenyl)-2-methylpropyl]heptan-4-amine
SMILESCCCC(CCC)NC(c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C17H28ClN/c1-5-7-16(8-6-2)19-17(13(3)4)14-9-11-15(18)12-10-14/h9-13,16-17,19H,5-8H2,1-4H3
InChIKeyJANKSHRHOTWVRI-UHFFFAOYSA-N
MW281.87 g/mol
LogP5.60
Rot. Bonds8

About N-[1-(4-chlorophenyl)-2-methylpropyl]heptan-4-amine

N-[1-(4-chlorophenyl)-2-methylpropyl]heptan-4-amine (PubChem CID 43687596) has the molecular formula C17H28ClN and a molecular weight of 281.87 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2-methylpropyl]heptan-4-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2-methylpropyl]heptan-4-amine
PubChem CID43687596
Molecular FormulaC17H28ClN
Molecular Weight281.87 g/mol
Exact Mass281.19
IUPAC NameN-[1-(4-chlorophenyl)-2-methylpropyl]heptan-4-amine
SMILESCCCC(CCC)NC(c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C17H28ClN/c1-5-7-16(8-6-2)19-17(13(3)4)14-9-11-15(18)12-10-14/h9-13,16-17,19H,5-8H2,1-4H3
InChIKeyJANKSHRHOTWVRI-UHFFFAOYSA-N
XLogP5.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.87
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-N-(1-ethylsulfonylpropan-2-yl)-2-methylpropan-1-amine
CID 115898625
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 81353330
1-(4-chlorophenyl)-N-[1-(4-chlorophenyl)ethyl]butan-1-amine
CID 43106646
N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine
CID 43685470
1-(4-chlorophenyl)-N-(3-methoxybutan-2-yl)-2-methylpropan-1-amine
CID 113259992
N-[(1S)-1-(4-chlorophenyl)ethyl]heptan-2-amine
CID 81352202
3-[1-(4-chlorophenyl)butylamino]-4-methylpentan-1-ol
CID 106348706
1-chloro-4-(1-chloro-2-methylpentyl)benzene
CID 63429099
1-(1-bromo-2-propylpentyl)-4-chlorobenzene
CID 82987632
N-[(1S)-1-(4-chlorophenyl)ethyl]butan-2-amine
CID 81352734
N-[(1S)-1-(4-chlorophenyl)ethyl]heptan-3-amine
CID 81352954
1-(4-chlorophenyl)butane-1-thiol
CID 57054877

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2-methylpropyl]heptan-4-amine?
The IUPAC name of N-[1-(4-chlorophenyl)-2-methylpropyl]heptan-4-amine (CID 43687596) is N-[1-(4-chlorophenyl)-2-methylpropyl]heptan-4-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2-methylpropyl]heptan-4-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)-2-methylpropyl]heptan-4-amine is CCCC(CCC)NC(c1ccc(Cl)cc1)C(C)C.
What is the InChIKey of N-[1-(4-chlorophenyl)-2-methylpropyl]heptan-4-amine?
The InChIKey is JANKSHRHOTWVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN/c1-5-7-16(8-6-2)19-17(13(3)4)14-9-11-15(18)12-10-14/h9-13,16-17,19H,5-8H2,1-4H3.
What are the key properties of N-[1-(4-chlorophenyl)-2-methylpropyl]heptan-4-amine?
N-[1-(4-chlorophenyl)-2-methylpropyl]heptan-4-amine has a molecular weight of 281.87 g/mol, XLogP of 5.60, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2-methylpropyl]heptan-4-amine is sourced from PubChem (CID 43687596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).