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

C15H24ClN — CID 81352954

IUPACN-[(1S)-1-(4-chlorophenyl)ethyl]heptan-3-amine
SMILESCCCCC(CC)N[C@@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C15H24ClN/c1-4-6-7-15(5-2)17-12(3)13-8-10-14(16)11-9-13/h8-12,15,17H,4-7H2,1-3H3/t12-,15?/m0/s1
InChIKeyNBIZTAZMYBDBIN-SFVWDYPZSA-N
MW253.82 g/mol
LogP4.96
Rot. Bonds7

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

N-[(1S)-1-(4-chlorophenyl)ethyl]heptan-3-amine (PubChem CID 81352954) has the molecular formula C15H24ClN and a molecular weight of 253.82 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)ethyl]heptan-3-amine.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)ethyl]heptan-3-amine
PubChem CID81352954
Molecular FormulaC15H24ClN
Molecular Weight253.82 g/mol
Exact Mass253.16
IUPAC NameN-[(1S)-1-(4-chlorophenyl)ethyl]heptan-3-amine
SMILESCCCCC(CC)N[C@@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C15H24ClN/c1-4-6-7-15(5-2)17-12(3)13-8-10-14(16)11-9-13/h8-12,15,17H,4-7H2,1-3H3/t12-,15?/m0/s1
InChIKeyNBIZTAZMYBDBIN-SFVWDYPZSA-N
XLogP4.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.82
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]heptan-2-amine
CID 81352202
N-[1-[4-(trifluoromethyl)phenyl]ethyl]heptan-3-amine
CID 63944741
(2S)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]butan-1-ol
CID 28723516
N-[(1S)-1-(4-chlorophenyl)ethyl]butan-2-amine
CID 81352734
N-[1-(4-chlorophenyl)ethyl]-1-methylsulfanylbutan-2-amine
CID 115899225
2-[1-(4-chlorophenyl)ethylamino]hexanoic acid
CID 103244944
[4-[1-(heptan-3-ylamino)ethyl]phenyl]urea
CID 63945914
1-(4-chlorophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81352929
1-(4-chlorophenyl)-N-[1-(4-chlorophenyl)ethyl]butan-1-amine
CID 43106646
2-[1-(4-chlorophenyl)ethylamino]propane-1,3-diol
CID 65315422
N-[1-(4-chlorophenyl)ethyl]-2,6-dimethylheptan-4-amine
CID 43111783
N-[1-(4-bromophenyl)ethyl]hexan-3-amine
CID 63476564

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]heptan-3-amine?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]heptan-3-amine (CID 81352954) is N-[(1S)-1-(4-chlorophenyl)ethyl]heptan-3-amine.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)ethyl]heptan-3-amine?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)ethyl]heptan-3-amine is CCCCC(CC)N[C@@H](C)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)ethyl]heptan-3-amine?
The InChIKey is NBIZTAZMYBDBIN-SFVWDYPZSA-N. The full InChI is InChI=1S/C15H24ClN/c1-4-6-7-15(5-2)17-12(3)13-8-10-14(16)11-9-13/h8-12,15,17H,4-7H2,1-3H3/t12-,15?/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)ethyl]heptan-3-amine?
N-[(1S)-1-(4-chlorophenyl)ethyl]heptan-3-amine has a molecular weight of 253.82 g/mol, XLogP of 4.96, 7 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]heptan-3-amine is sourced from PubChem (CID 81352954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).