N-[1-(4-chlorophenyl)ethyl]-2,6-dimethylheptan-4-amine

C17H28ClN — CID 43111783

IUPACN-[1-(4-chlorophenyl)ethyl]-2,6-dimethylheptan-4-amine
SMILESCC(C)CC(CC(C)C)NC(C)c1ccc(Cl)cc1
InChIInChI=1S/C17H28ClN/c1-12(2)10-17(11-13(3)4)19-14(5)15-6-8-16(18)9-7-15/h6-9,12-14,17,19H,10-11H2,1-5H3
InChIKeyBJZZLHZTPOATLD-UHFFFAOYSA-N
MW281.87 g/mol
LogP5.45
Rot. Bonds7

About N-[1-(4-chlorophenyl)ethyl]-2,6-dimethylheptan-4-amine

N-[1-(4-chlorophenyl)ethyl]-2,6-dimethylheptan-4-amine (PubChem CID 43111783) has the molecular formula C17H28ClN and a molecular weight of 281.87 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-2,6-dimethylheptan-4-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-2,6-dimethylheptan-4-amine
PubChem CID43111783
Molecular FormulaC17H28ClN
Molecular Weight281.87 g/mol
Exact Mass281.19
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-2,6-dimethylheptan-4-amine
SMILESCC(C)CC(CC(C)C)NC(C)c1ccc(Cl)cc1
InChIInChI=1S/C17H28ClN/c1-12(2)10-17(11-13(3)4)19-14(5)15-6-8-16(18)9-7-15/h6-9,12-14,17,19H,10-11H2,1-5H3
InChIKeyBJZZLHZTPOATLD-UHFFFAOYSA-N
XLogP5.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.87
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-(4-chlorophenyl)ethylamino]propane-1,3-diol
CID 65315422
N-[(1R)-1-(4-chlorophenyl)ethyl]-5-methylhexan-2-amine
CID 81357194
N-[(1S)-1-(4-chlorophenyl)ethyl]butan-2-amine
CID 81352734
(2S)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]butan-1-ol
CID 28723516
(2R)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-3-methylbutan-1-ol
CID 124511733
N-[1-(4-chlorophenyl)ethyl]-1-methylsulfanylbutan-2-amine
CID 115899225
1-(4-chlorophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81352929
2-[1-(4-chlorophenyl)ethylamino]-3-methylbutan-1-ol;hydrochloride
CID 122360330
N-[(1S)-1-(4-chlorophenyl)ethyl]heptan-3-amine
CID 81352954
(1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81355634
N-[1-(4-chlorophenyl)ethyl]pent-4-en-2-amine
CID 115632133
N-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)ethanamine
CID 81359219

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2,6-dimethylheptan-4-amine?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2,6-dimethylheptan-4-amine (CID 43111783) is N-[1-(4-chlorophenyl)ethyl]-2,6-dimethylheptan-4-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-2,6-dimethylheptan-4-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-2,6-dimethylheptan-4-amine is CC(C)CC(CC(C)C)NC(C)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-2,6-dimethylheptan-4-amine?
The InChIKey is BJZZLHZTPOATLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN/c1-12(2)10-17(11-13(3)4)19-14(5)15-6-8-16(18)9-7-15/h6-9,12-14,17,19H,10-11H2,1-5H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-2,6-dimethylheptan-4-amine?
N-[1-(4-chlorophenyl)ethyl]-2,6-dimethylheptan-4-amine has a molecular weight of 281.87 g/mol, XLogP of 5.45, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-2,6-dimethylheptan-4-amine is sourced from PubChem (CID 43111783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).