2-amino-5-(4-chloro-2,5-dimethoxyphenyl)hexan-3-ol

C14H22ClNO3 — CID 83943240

IUPAC2-amino-5-(4-chloro-2,5-dimethoxyphenyl)hexan-3-ol
SMILESCOc1cc(C(C)CC(O)C(C)N)c(OC)cc1Cl
InChIInChI=1S/C14H22ClNO3/c1-8(5-12(17)9(2)16)10-6-14(19-4)11(15)7-13(10)18-3/h6-9,12,17H,5,16H2,1-4H3
InChIKeyKBKANOSBNGWKJM-UHFFFAOYSA-N
MW287.79 g/mol
LogP2.56
Rot. Bonds6

About 2-amino-5-(4-chloro-2,5-dimethoxyphenyl)hexan-3-ol

2-amino-5-(4-chloro-2,5-dimethoxyphenyl)hexan-3-ol (PubChem CID 83943240) has the molecular formula C14H22ClNO3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 2-amino-5-(4-chloro-2,5-dimethoxyphenyl)hexan-3-ol.

Molecular Properties

Compound Name2-amino-5-(4-chloro-2,5-dimethoxyphenyl)hexan-3-ol
PubChem CID83943240
Molecular FormulaC14H22ClNO3
Molecular Weight287.79 g/mol
Exact Mass287.13
IUPAC Name2-amino-5-(4-chloro-2,5-dimethoxyphenyl)hexan-3-ol
SMILESCOc1cc(C(C)CC(O)C(C)N)c(OC)cc1Cl
InChIInChI=1S/C14H22ClNO3/c1-8(5-12(17)9(2)16)10-6-14(19-4)11(15)7-13(10)18-3/h6-9,12,17H,5,16H2,1-4H3
InChIKeyKBKANOSBNGWKJM-UHFFFAOYSA-N
XLogP2.56
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-(5-chloro-2,4-dimethoxyphenyl)heptan-4-ol
CID 83943371
5-amino-2-(5-chloro-2,4-dimethoxyphenyl)octan-4-ol
CID 83943374
1-amino-4-(5-chloro-2,4-dimethoxyphenyl)pentan-2-ol
CID 83943372
2-amino-1-(4-chloro-2,5-dimethoxyphenyl)butane-1,4-diol
CID 83943166
2-amino-5-(2-chloro-4,5-dimethylphenyl)hexan-3-ol
CID 83931550
2-amino-5-(2,3,4-trimethoxyphenyl)hexan-3-ol
CID 83934134
1-(4-chloro-2,5-dimethoxyphenyl)propan-1-ol
CID 82268059
2-amino-1-(2,5-dichloro-4-methoxyphenyl)ethanol
CID 82291508
1-amino-4-(5-chloro-2-methoxy-4-methylphenyl)pentan-2-ol
CID 83937557
2-(2,4-dichloro-5-methoxyphenyl)propan-1-amine
CID 83895896
4-amino-4-(4-chloro-2,5-dimethoxyphenyl)butanoic acid
CID 117436981
2-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine
CID 82284471

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-chloro-2,5-dimethoxyphenyl)hexan-3-ol?
The IUPAC name of 2-amino-5-(4-chloro-2,5-dimethoxyphenyl)hexan-3-ol (CID 83943240) is 2-amino-5-(4-chloro-2,5-dimethoxyphenyl)hexan-3-ol.
What is the SMILES notation for 2-amino-5-(4-chloro-2,5-dimethoxyphenyl)hexan-3-ol?
The canonical SMILES for 2-amino-5-(4-chloro-2,5-dimethoxyphenyl)hexan-3-ol is COc1cc(C(C)CC(O)C(C)N)c(OC)cc1Cl.
What is the InChIKey of 2-amino-5-(4-chloro-2,5-dimethoxyphenyl)hexan-3-ol?
The InChIKey is KBKANOSBNGWKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO3/c1-8(5-12(17)9(2)16)10-6-14(19-4)11(15)7-13(10)18-3/h6-9,12,17H,5,16H2,1-4H3.
What are the key properties of 2-amino-5-(4-chloro-2,5-dimethoxyphenyl)hexan-3-ol?
2-amino-5-(4-chloro-2,5-dimethoxyphenyl)hexan-3-ol has a molecular weight of 287.79 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-chloro-2,5-dimethoxyphenyl)hexan-3-ol is sourced from PubChem (CID 83943240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).