N-[1-(2-chlorophenyl)ethyl]-6-methylheptan-2-amine

C16H26ClN — CID 43081081

IUPACN-[1-(2-chlorophenyl)ethyl]-6-methylheptan-2-amine
SMILESCC(C)CCCC(C)NC(C)c1ccccc1Cl
InChIInChI=1S/C16H26ClN/c1-12(2)8-7-9-13(3)18-14(4)15-10-5-6-11-16(15)17/h5-6,10-14,18H,7-9H2,1-4H3
InChIKeyAXZASWGFNOFRPB-UHFFFAOYSA-N
MW267.84 g/mol
LogP5.21
Rot. Bonds7

About N-[1-(2-chlorophenyl)ethyl]-6-methylheptan-2-amine

N-[1-(2-chlorophenyl)ethyl]-6-methylheptan-2-amine (PubChem CID 43081081) has the molecular formula C16H26ClN and a molecular weight of 267.84 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-6-methylheptan-2-amine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-6-methylheptan-2-amine
PubChem CID43081081
Molecular FormulaC16H26ClN
Molecular Weight267.84 g/mol
Exact Mass267.18
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-6-methylheptan-2-amine
SMILESCC(C)CCCC(C)NC(C)c1ccccc1Cl
InChIInChI=1S/C16H26ClN/c1-12(2)8-7-9-13(3)18-14(4)15-10-5-6-11-16(15)17/h5-6,10-14,18H,7-9H2,1-4H3
InChIKeyAXZASWGFNOFRPB-UHFFFAOYSA-N
XLogP5.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.84
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2-chlorophenyl)ethyl]-4-phenylbutan-2-amine
CID 43078952
N-[(1R)-1-(2-chlorophenyl)ethyl]-1-cyclopropylpropan-2-amine
CID 104866435
(1S)-1-(2-chlorophenyl)-N-methylethanamine
CID 30073865
N-[1-(2,5-difluorophenyl)ethyl]-6-methylheptan-2-amine
CID 43108471
N-[1-(2-chlorophenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749075
5-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]hexan-2-amine
CID 81373170
N-[(1S)-1-(2-chlorophenyl)ethyl]-1-cyclobutylpropan-2-amine
CID 113489915
2-[1-(2-chlorophenyl)ethylamino]-3-methylbutan-1-ol
CID 79253658
3-[1-(2-chlorophenyl)ethylamino]-4-methylpentan-1-ol
CID 113250283
5-fluoro-2-[1-(6-methylheptan-2-ylamino)ethyl]phenol
CID 63066533
N-[(1S)-1-(2-methoxyphenyl)ethyl]-5-methylhexan-2-amine
CID 81396911
N-[(1S)-1-(2-chlorophenyl)ethyl]-1-phenylbutan-1-amine
CID 81377753

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-6-methylheptan-2-amine?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-6-methylheptan-2-amine (CID 43081081) is N-[1-(2-chlorophenyl)ethyl]-6-methylheptan-2-amine.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-6-methylheptan-2-amine?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-6-methylheptan-2-amine is CC(C)CCCC(C)NC(C)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-6-methylheptan-2-amine?
The InChIKey is AXZASWGFNOFRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN/c1-12(2)8-7-9-13(3)18-14(4)15-10-5-6-11-16(15)17/h5-6,10-14,18H,7-9H2,1-4H3.
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-6-methylheptan-2-amine?
N-[1-(2-chlorophenyl)ethyl]-6-methylheptan-2-amine has a molecular weight of 267.84 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-6-methylheptan-2-amine is sourced from PubChem (CID 43081081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).