2-(aminomethyl)-4-(2-chloro-4,5-dimethylphenyl)hexan-1-ol

C15H24ClNO — CID 83931462

IUPAC2-(aminomethyl)-4-(2-chloro-4,5-dimethylphenyl)hexan-1-ol
SMILESCCC(CC(CN)CO)c1cc(C)c(C)cc1Cl
InChIInChI=1S/C15H24ClNO/c1-4-13(7-12(8-17)9-18)14-5-10(2)11(3)6-15(14)16/h5-6,12-13,18H,4,7-9,17H2,1-3H3
InChIKeySEQJSWOMUBINCM-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.41
Rot. Bonds6

About 2-(aminomethyl)-4-(2-chloro-4,5-dimethylphenyl)hexan-1-ol

2-(aminomethyl)-4-(2-chloro-4,5-dimethylphenyl)hexan-1-ol (PubChem CID 83931462) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 2-(aminomethyl)-4-(2-chloro-4,5-dimethylphenyl)hexan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-4-(2-chloro-4,5-dimethylphenyl)hexan-1-ol
PubChem CID83931462
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name2-(aminomethyl)-4-(2-chloro-4,5-dimethylphenyl)hexan-1-ol
SMILESCCC(CC(CN)CO)c1cc(C)c(C)cc1Cl
InChIInChI=1S/C15H24ClNO/c1-4-13(7-12(8-17)9-18)14-5-10(2)11(3)6-15(14)16/h5-6,12-13,18H,4,7-9,17H2,1-3H3
InChIKeySEQJSWOMUBINCM-UHFFFAOYSA-N
XLogP3.41
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-chloro-4,5-dimethylphenyl)butyl]propane-1,3-diamine
CID 83931457
2-(aminomethyl)-4-(5-chloro-2-methoxy-4-methylphenyl)hexan-1-ol
CID 83937477
2-(aminomethyl)-4-(4-methoxy-2,5-dimethylphenyl)hexan-1-ol
CID 83927780
4-(2-chloro-4,5-dimethylphenyl)hexane-1,2-diol
CID 83931558
2-(aminomethyl)-4-(2,3,5,6-tetramethylphenyl)hexan-1-ol
CID 83941407
2-(aminomethyl)-4-(4-ethoxy-2,6-dimethylphenyl)hexan-1-ol
CID 83940191
2-(aminomethyl)-4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)hexan-1-ol
CID 83938830
2-(aminomethyl)-3-(2-chloro-4,5-dimethylphenyl)propan-1-ol
CID 83931466
2-[2-(2-chlorophenyl)butyl]propane-1,3-diamine
CID 83924194
2-(aminomethyl)-4-(2,5-diethoxyphenyl)hexan-1-ol
CID 83942792
2-[2-(4-chloro-3-methylphenyl)butyl]propane-1,3-diamine
CID 83937341
1-amino-4-(2-fluoro-4,5-dimethylphenyl)hexan-2-ol
CID 83931690

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-(2-chloro-4,5-dimethylphenyl)hexan-1-ol?
The IUPAC name of 2-(aminomethyl)-4-(2-chloro-4,5-dimethylphenyl)hexan-1-ol (CID 83931462) is 2-(aminomethyl)-4-(2-chloro-4,5-dimethylphenyl)hexan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-4-(2-chloro-4,5-dimethylphenyl)hexan-1-ol?
The canonical SMILES for 2-(aminomethyl)-4-(2-chloro-4,5-dimethylphenyl)hexan-1-ol is CCC(CC(CN)CO)c1cc(C)c(C)cc1Cl.
What is the InChIKey of 2-(aminomethyl)-4-(2-chloro-4,5-dimethylphenyl)hexan-1-ol?
The InChIKey is SEQJSWOMUBINCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-4-13(7-12(8-17)9-18)14-5-10(2)11(3)6-15(14)16/h5-6,12-13,18H,4,7-9,17H2,1-3H3.
What are the key properties of 2-(aminomethyl)-4-(2-chloro-4,5-dimethylphenyl)hexan-1-ol?
2-(aminomethyl)-4-(2-chloro-4,5-dimethylphenyl)hexan-1-ol has a molecular weight of 269.82 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-(2-chloro-4,5-dimethylphenyl)hexan-1-ol is sourced from PubChem (CID 83931462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).