2-[(3-chlorophenyl)methyl]-N,5,5-trimethylhexan-1-amine

C16H26ClN — CID 63522633

IUPAC2-[(3-chlorophenyl)methyl]-N,5,5-trimethylhexan-1-amine
SMILESCNCC(CCC(C)(C)C)Cc1cccc(Cl)c1
InChIInChI=1S/C16H26ClN/c1-16(2,3)9-8-14(12-18-4)10-13-6-5-7-15(17)11-13/h5-7,11,14,18H,8-10,12H2,1-4H3
InChIKeyYUURXHNJCATOQH-UHFFFAOYSA-N
MW267.84 g/mol
LogP4.54
Rot. Bonds6

About 2-[(3-chlorophenyl)methyl]-N,5,5-trimethylhexan-1-amine

2-[(3-chlorophenyl)methyl]-N,5,5-trimethylhexan-1-amine (PubChem CID 63522633) has the molecular formula C16H26ClN and a molecular weight of 267.84 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-N,5,5-trimethylhexan-1-amine.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-N,5,5-trimethylhexan-1-amine
PubChem CID63522633
Molecular FormulaC16H26ClN
Molecular Weight267.84 g/mol
Exact Mass267.18
IUPAC Name2-[(3-chlorophenyl)methyl]-N,5,5-trimethylhexan-1-amine
SMILESCNCC(CCC(C)(C)C)Cc1cccc(Cl)c1
InChIInChI=1S/C16H26ClN/c1-16(2,3)9-8-14(12-18-4)10-13-6-5-7-15(17)11-13/h5-7,11,14,18H,8-10,12H2,1-4H3
InChIKeyYUURXHNJCATOQH-UHFFFAOYSA-N
XLogP4.54
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 ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-chlorophenyl)methyl]-6-methoxy-N-methylhexan-1-amine
CID 104649236
2-[(4-bromophenyl)methyl]-3-(3-chlorophenyl)-N-methylpropan-1-amine
CID 63522254
2-[(3-chlorophenyl)methyl]-4-ethyl-N-methyloctan-1-amine
CID 63522273
N-tert-butyl-2-[(3-chlorophenyl)methyl]hexan-1-amine
CID 63522455
1-(3-chlorophenyl)-5,5-dimethyl-N-propylhexan-2-amine
CID 55187933
N-ethyl-5,5-dimethyl-2-[(3-methylphenyl)methyl]hexan-1-amine
CID 63520839
2-[(3-chlorophenyl)methyl]-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 63522996
2-[(3-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 62529325
2-[(3-chlorophenyl)methyl]-5-methyl-N-propan-2-ylhexan-1-amine
CID 63523534
2-[(3-bromophenyl)methyl]-3-(4-chlorophenyl)-N-methylpropan-1-amine
CID 63522603
1-(3-chlorophenyl)-4,4-dimethylpentan-2-ol
CID 63016982
N-[2-[(3-chlorophenyl)methyl]octyl]cyclopropanamine
CID 63521924

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-N,5,5-trimethylhexan-1-amine?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-N,5,5-trimethylhexan-1-amine (CID 63522633) is 2-[(3-chlorophenyl)methyl]-N,5,5-trimethylhexan-1-amine.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-N,5,5-trimethylhexan-1-amine?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-N,5,5-trimethylhexan-1-amine is CNCC(CCC(C)(C)C)Cc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-N,5,5-trimethylhexan-1-amine?
The InChIKey is YUURXHNJCATOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN/c1-16(2,3)9-8-14(12-18-4)10-13-6-5-7-15(17)11-13/h5-7,11,14,18H,8-10,12H2,1-4H3.
What are the key properties of 2-[(3-chlorophenyl)methyl]-N,5,5-trimethylhexan-1-amine?
2-[(3-chlorophenyl)methyl]-N,5,5-trimethylhexan-1-amine has a molecular weight of 267.84 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-N,5,5-trimethylhexan-1-amine is sourced from PubChem (CID 63522633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).