N-[2-(4-chlorophenyl)ethyl]-5,5-dimethylhexan-2-amine

C16H26ClN — CID 114279894

IUPACN-[2-(4-chlorophenyl)ethyl]-5,5-dimethylhexan-2-amine
SMILESCC(CCC(C)(C)C)NCCc1ccc(Cl)cc1
InChIInChI=1S/C16H26ClN/c1-13(9-11-16(2,3)4)18-12-10-14-5-7-15(17)8-6-14/h5-8,13,18H,9-12H2,1-4H3
InChIKeyHNTWVKLWQNPHDZ-UHFFFAOYSA-N
MW267.84 g/mol
LogP4.69
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-5,5-dimethylhexan-2-amine

N-[2-(4-chlorophenyl)ethyl]-5,5-dimethylhexan-2-amine (PubChem CID 114279894) has the molecular formula C16H26ClN and a molecular weight of 267.84 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-5,5-dimethylhexan-2-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-5,5-dimethylhexan-2-amine
PubChem CID114279894
Molecular FormulaC16H26ClN
Molecular Weight267.84 g/mol
Exact Mass267.18
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-5,5-dimethylhexan-2-amine
SMILESCC(CCC(C)(C)C)NCCc1ccc(Cl)cc1
InChIInChI=1S/C16H26ClN/c1-13(9-11-16(2,3)4)18-12-10-14-5-7-15(17)8-6-14/h5-8,13,18H,9-12H2,1-4H3
InChIKeyHNTWVKLWQNPHDZ-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.84
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(4-chlorophenyl)ethylamino]-2-methylpropan-1-ol
CID 121016044
1-(4-chlorophenyl)-5,5-dimethyl-N-propylhexan-2-amine
CID 63412958
1-chloro-1-[2-(4-chlorophenyl)ethylamino]propan-2-ol
CID 141296655
N-[(1R)-1-(4-chlorophenyl)ethyl]-3,3-dimethylbutan-1-amine
CID 81356230
2-[2-(4-chlorophenyl)ethylamino]-N-propan-2-ylpropanamide
CID 60654107
N-[2-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 43100538
2-[[2-(4-chlorophenyl)ethylamino]methyl]-3-methylbutanoic acid
CID 115250406
N-[2-(4-chlorophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 43103247
N-(5,5-dimethylhexan-2-yl)-4-propylaniline
CID 114279897
N-[2-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
CID 43767012
5-(4-chlorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine
CID 65304384
4-chloro-N-[2-(4-methoxyphenyl)ethyl]butan-2-amine
CID 83188272

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5,5-dimethylhexan-2-amine?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5,5-dimethylhexan-2-amine (CID 114279894) is N-[2-(4-chlorophenyl)ethyl]-5,5-dimethylhexan-2-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-5,5-dimethylhexan-2-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-5,5-dimethylhexan-2-amine is CC(CCC(C)(C)C)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-5,5-dimethylhexan-2-amine?
The InChIKey is HNTWVKLWQNPHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN/c1-13(9-11-16(2,3)4)18-12-10-14-5-7-15(17)8-6-14/h5-8,13,18H,9-12H2,1-4H3.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-5,5-dimethylhexan-2-amine?
N-[2-(4-chlorophenyl)ethyl]-5,5-dimethylhexan-2-amine has a molecular weight of 267.84 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-5,5-dimethylhexan-2-amine is sourced from PubChem (CID 114279894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).