N-[(1R)-1-(4-chlorophenyl)ethyl]-5-methylhexan-2-amine

C15H24ClN — CID 81357194

IUPACN-[(1R)-1-(4-chlorophenyl)ethyl]-5-methylhexan-2-amine
SMILESCC(C)CCC(C)N[C@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C15H24ClN/c1-11(2)5-6-12(3)17-13(4)14-7-9-15(16)10-8-14/h7-13,17H,5-6H2,1-4H3/t12?,13-/m1/s1
InChIKeyICGKIBMPHPGWQD-ZGTCLIOFSA-N
MW253.82 g/mol
LogP4.82
Rot. Bonds6

About N-[(1R)-1-(4-chlorophenyl)ethyl]-5-methylhexan-2-amine

N-[(1R)-1-(4-chlorophenyl)ethyl]-5-methylhexan-2-amine (PubChem CID 81357194) has the molecular formula C15H24ClN and a molecular weight of 253.82 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)ethyl]-5-methylhexan-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)ethyl]-5-methylhexan-2-amine
PubChem CID81357194
Molecular FormulaC15H24ClN
Molecular Weight253.82 g/mol
Exact Mass253.16
IUPAC NameN-[(1R)-1-(4-chlorophenyl)ethyl]-5-methylhexan-2-amine
SMILESCC(C)CCC(C)N[C@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C15H24ClN/c1-11(2)5-6-12(3)17-13(4)14-7-9-15(16)10-8-14/h7-13,17H,5-6H2,1-4H3/t12?,13-/m1/s1
InChIKeyICGKIBMPHPGWQD-ZGTCLIOFSA-N
XLogP4.82
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 ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-N-[(1R)-1-phenylethyl]hexan-2-amine
CID 81350765
N-[(1S)-1-(4-chlorophenyl)ethyl]butan-2-amine
CID 81352734
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-methoxybutan-2-amine
CID 81356589
N-[(1S)-1-(4-chlorophenyl)ethyl]heptan-2-amine
CID 81352202
N-[1-(3,4-dichlorophenyl)ethyl]-5-methylhexan-2-amine
CID 43108567
N-[1-(4-chlorophenyl)ethyl]-2,6-dimethylheptan-4-amine
CID 43111783
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-phenylbutan-2-amine
CID 81352287
2-[1-(4-chlorophenyl)ethylamino]propane-1,3-diol
CID 65315422
N-[1-(4-chlorophenyl)ethyl]pent-4-en-2-amine
CID 115632133
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 81352630
N-[1-(4-chlorophenyl)ethyl]-1-ethylsulfanylpropan-2-amine
CID 115725719
1-(4-chlorophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81352929

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-5-methylhexan-2-amine?
The IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-5-methylhexan-2-amine (CID 81357194) is N-[(1R)-1-(4-chlorophenyl)ethyl]-5-methylhexan-2-amine.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)ethyl]-5-methylhexan-2-amine?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)ethyl]-5-methylhexan-2-amine is CC(C)CCC(C)N[C@H](C)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)ethyl]-5-methylhexan-2-amine?
The InChIKey is ICGKIBMPHPGWQD-ZGTCLIOFSA-N. The full InChI is InChI=1S/C15H24ClN/c1-11(2)5-6-12(3)17-13(4)14-7-9-15(16)10-8-14/h7-13,17H,5-6H2,1-4H3/t12?,13-/m1/s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)ethyl]-5-methylhexan-2-amine?
N-[(1R)-1-(4-chlorophenyl)ethyl]-5-methylhexan-2-amine has a molecular weight of 253.82 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-chlorophenyl)ethyl]-5-methylhexan-2-amine is sourced from PubChem (CID 81357194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).