2-(aminomethyl)-4-(5-chloro-2-methoxy-4-methylphenyl)hexan-1-ol

C15H24ClNO2 — CID 83937477

IUPAC2-(aminomethyl)-4-(5-chloro-2-methoxy-4-methylphenyl)hexan-1-ol
SMILESCCC(CC(CN)CO)c1cc(Cl)c(C)cc1OC
InChIInChI=1S/C15H24ClNO2/c1-4-12(6-11(8-17)9-18)13-7-14(16)10(2)5-15(13)19-3/h5,7,11-12,18H,4,6,8-9,17H2,1-3H3
InChIKeyAUYGZIKDUTWZHF-UHFFFAOYSA-N
MW285.81 g/mol
LogP3.11
Rot. Bonds7

About 2-(aminomethyl)-4-(5-chloro-2-methoxy-4-methylphenyl)hexan-1-ol

2-(aminomethyl)-4-(5-chloro-2-methoxy-4-methylphenyl)hexan-1-ol (PubChem CID 83937477) has the molecular formula C15H24ClNO2 and a molecular weight of 285.81 g/mol. Its IUPAC name is 2-(aminomethyl)-4-(5-chloro-2-methoxy-4-methylphenyl)hexan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-4-(5-chloro-2-methoxy-4-methylphenyl)hexan-1-ol
PubChem CID83937477
Molecular FormulaC15H24ClNO2
Molecular Weight285.81 g/mol
Exact Mass285.15
IUPAC Name2-(aminomethyl)-4-(5-chloro-2-methoxy-4-methylphenyl)hexan-1-ol
SMILESCCC(CC(CN)CO)c1cc(Cl)c(C)cc1OC
InChIInChI=1S/C15H24ClNO2/c1-4-12(6-11(8-17)9-18)13-7-14(16)10(2)5-15(13)19-3/h5,7,11-12,18H,4,6,8-9,17H2,1-3H3
InChIKeyAUYGZIKDUTWZHF-UHFFFAOYSA-N
XLogP3.11
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.81
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-4-(4-methoxy-2,5-dimethylphenyl)hexan-1-ol
CID 83927780
2-(aminomethyl)-4-(2-chloro-4,5-dimethylphenyl)hexan-1-ol
CID 83931462
3-amino-2-(5-chloro-2-methoxy-4-methylphenyl)propan-1-ol
CID 82288669
2-[2-(2-chloro-4,5-dimethylphenyl)butyl]propane-1,3-diamine
CID 83931457
2-(5-chloro-2-methoxy-4-methylphenyl)-N-methylbutan-1-amine
CID 116964692
2-(2-methoxy-4,5-dimethylphenyl)butan-1-ol
CID 82077689
(1R)-1-(5-chloro-2-methoxy-4-methylphenyl)ethane-1,2-diamine
CID 66517766
1-amino-4-(5-chloro-2-methoxy-4-methylphenyl)pentan-2-ol
CID 83937557
3-amino-2-(2-methoxy-4,5-dimethylphenyl)propan-1-ol
CID 82283929
2-[2-(5-chloro-2,4-diethoxyphenyl)butyl]propane-1,3-diamine
CID 83943408
2-[1-(5-chloro-2-methoxy-4-methylphenyl)ethyl]propane-1,3-diamine
CID 83937480
2-(aminomethyl)-4-(2,5-diethoxyphenyl)hexan-1-ol
CID 83942792

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-(5-chloro-2-methoxy-4-methylphenyl)hexan-1-ol?
The IUPAC name of 2-(aminomethyl)-4-(5-chloro-2-methoxy-4-methylphenyl)hexan-1-ol (CID 83937477) is 2-(aminomethyl)-4-(5-chloro-2-methoxy-4-methylphenyl)hexan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-4-(5-chloro-2-methoxy-4-methylphenyl)hexan-1-ol?
The canonical SMILES for 2-(aminomethyl)-4-(5-chloro-2-methoxy-4-methylphenyl)hexan-1-ol is CCC(CC(CN)CO)c1cc(Cl)c(C)cc1OC.
What is the InChIKey of 2-(aminomethyl)-4-(5-chloro-2-methoxy-4-methylphenyl)hexan-1-ol?
The InChIKey is AUYGZIKDUTWZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO2/c1-4-12(6-11(8-17)9-18)13-7-14(16)10(2)5-15(13)19-3/h5,7,11-12,18H,4,6,8-9,17H2,1-3H3.
What are the key properties of 2-(aminomethyl)-4-(5-chloro-2-methoxy-4-methylphenyl)hexan-1-ol?
2-(aminomethyl)-4-(5-chloro-2-methoxy-4-methylphenyl)hexan-1-ol has a molecular weight of 285.81 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-(5-chloro-2-methoxy-4-methylphenyl)hexan-1-ol is sourced from PubChem (CID 83937477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).