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

C16H27NO2 — CID 83927780

IUPAC2-(aminomethyl)-4-(4-methoxy-2,5-dimethylphenyl)hexan-1-ol
SMILESCCC(CC(CN)CO)c1cc(C)c(OC)cc1C
InChIInChI=1S/C16H27NO2/c1-5-14(8-13(9-17)10-18)15-6-12(3)16(19-4)7-11(15)2/h6-7,13-14,18H,5,8-10,17H2,1-4H3
InChIKeyKURIQHNRALAFID-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.76
Rot. Bonds7

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

2-(aminomethyl)-4-(4-methoxy-2,5-dimethylphenyl)hexan-1-ol (PubChem CID 83927780) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(aminomethyl)-4-(4-methoxy-2,5-dimethylphenyl)hexan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-4-(4-methoxy-2,5-dimethylphenyl)hexan-1-ol
PubChem CID83927780
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-(aminomethyl)-4-(4-methoxy-2,5-dimethylphenyl)hexan-1-ol
SMILESCCC(CC(CN)CO)c1cc(C)c(OC)cc1C
InChIInChI=1S/C16H27NO2/c1-5-14(8-13(9-17)10-18)15-6-12(3)16(19-4)7-11(15)2/h6-7,13-14,18H,5,8-10,17H2,1-4H3
InChIKeyKURIQHNRALAFID-UHFFFAOYSA-N
XLogP2.76
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(aminomethyl)-4-(4-methoxy-2,5-dimethylphenyl)hexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(aminomethyl)-4-(5-chloro-2-methoxy-4-methylphenyl)hexan-1-ol
CID 83937477
2-(4-methoxy-2,5-dimethylphenyl)butan-1-amine
CID 82077546
2-(4-methoxy-2,5-dimethylphenyl)butan-1-ol
CID 82077691
2-(aminomethyl)-4-(2-chloro-4,5-dimethylphenyl)hexan-1-ol
CID 83931462
2-[2-(4-methoxy-2,5-dimethylphenyl)propyl]propane-1,3-diamine
CID 83927774
2-(2-methoxy-4,5-dimethylphenyl)butan-1-ol
CID 82077689
3-amino-2-(2-methoxy-4,5-dimethylphenyl)propan-1-ol
CID 82283929
2-(aminomethyl)-4-(4-ethoxy-2,6-dimethylphenyl)hexan-1-ol
CID 83940191
2-(aminomethyl)-4-(3-bromo-4-methoxyphenyl)hexan-1-ol
CID 83926083
2-(aminomethyl)-4-(2,3,5,6-tetramethylphenyl)hexan-1-ol
CID 83941407
2-[2-(2-chloro-4,5-dimethylphenyl)butyl]propane-1,3-diamine
CID 83931457
2-(aminomethyl)-4-(2,5-diethoxyphenyl)hexan-1-ol
CID 83942792

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-(4-methoxy-2,5-dimethylphenyl)hexan-1-ol?
The IUPAC name of 2-(aminomethyl)-4-(4-methoxy-2,5-dimethylphenyl)hexan-1-ol (CID 83927780) is 2-(aminomethyl)-4-(4-methoxy-2,5-dimethylphenyl)hexan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-4-(4-methoxy-2,5-dimethylphenyl)hexan-1-ol?
The canonical SMILES for 2-(aminomethyl)-4-(4-methoxy-2,5-dimethylphenyl)hexan-1-ol is CCC(CC(CN)CO)c1cc(C)c(OC)cc1C.
What is the InChIKey of 2-(aminomethyl)-4-(4-methoxy-2,5-dimethylphenyl)hexan-1-ol?
The InChIKey is KURIQHNRALAFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-14(8-13(9-17)10-18)15-6-12(3)16(19-4)7-11(15)2/h6-7,13-14,18H,5,8-10,17H2,1-4H3.
What are the key properties of 2-(aminomethyl)-4-(4-methoxy-2,5-dimethylphenyl)hexan-1-ol?
2-(aminomethyl)-4-(4-methoxy-2,5-dimethylphenyl)hexan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-(4-methoxy-2,5-dimethylphenyl)hexan-1-ol is sourced from PubChem (CID 83927780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).