2-amino-1-(2-chloro-3,4-dimethoxyphenyl)-4-methylpentan-1-ol

C14H22ClNO3 — CID 63630961

IUPAC2-amino-1-(2-chloro-3,4-dimethoxyphenyl)-4-methylpentan-1-ol
SMILESCOc1ccc(C(O)C(N)CC(C)C)c(Cl)c1OC
InChIInChI=1S/C14H22ClNO3/c1-8(2)7-10(16)13(17)9-5-6-11(18-3)14(19-4)12(9)15/h5-6,8,10,13,17H,7,16H2,1-4H3
InChIKeyVMJUYSJQRSNRRJ-UHFFFAOYSA-N
MW287.79 g/mol
LogP2.76
Rot. Bonds6

About 2-amino-1-(2-chloro-3,4-dimethoxyphenyl)-4-methylpentan-1-ol

2-amino-1-(2-chloro-3,4-dimethoxyphenyl)-4-methylpentan-1-ol (PubChem CID 63630961) has the molecular formula C14H22ClNO3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 2-amino-1-(2-chloro-3,4-dimethoxyphenyl)-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-amino-1-(2-chloro-3,4-dimethoxyphenyl)-4-methylpentan-1-ol
PubChem CID63630961
Molecular FormulaC14H22ClNO3
Molecular Weight287.79 g/mol
Exact Mass287.13
IUPAC Name2-amino-1-(2-chloro-3,4-dimethoxyphenyl)-4-methylpentan-1-ol
SMILESCOc1ccc(C(O)C(N)CC(C)C)c(Cl)c1OC
InChIInChI=1S/C14H22ClNO3/c1-8(2)7-10(16)13(17)9-5-6-11(18-3)14(19-4)12(9)15/h5-6,8,10,13,17H,7,16H2,1-4H3
InChIKeyVMJUYSJQRSNRRJ-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(2-chloro-3,4-dimethoxyphenyl)-3-methylbutan-1-amine
CID 171221545
3-bromo-1-(2-chloro-3,4-dimethoxyphenyl)propane-1,2-diol
CID 171861224
(1R,2S)-1-amino-1-(2-chloro-3,4-dimethoxyphenyl)-3-methylpentan-2-ol;hydrochloride
CID 171261628
3-amino-1-(2-chloro-3,4-dimethoxyphenyl)propan-1-ol
CID 79138086
1-(2-chloro-3,4-dimethoxyphenyl)-2-propan-2-yloxyethanol
CID 79566842
2-amino-5-(2,3,4-trimethoxyphenyl)hexan-3-ol
CID 83934134
3-[2-amino-1-(2-chloro-3,4-dimethoxyphenyl)ethoxy]butan-2-ol
CID 103377157
(1S)-1-(2-chloro-3,4-dimethoxyphenyl)-2,2-difluoroethanamine
CID 171247035
1-(1-bromoethyl)-2-chloro-3,4-dimethoxybenzene
CID 174509995
(3R)-3-amino-3-(2-chloro-3,4-dimethoxyphenyl)propanoic acid
CID 63632709
methyl (2S)-2-amino-2-(2-chloro-3,4-dimethoxyphenyl)acetate;hydrochloride
CID 171202030
(1S)-1-(2-chloro-3,4-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 171221538

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-chloro-3,4-dimethoxyphenyl)-4-methylpentan-1-ol?
The IUPAC name of 2-amino-1-(2-chloro-3,4-dimethoxyphenyl)-4-methylpentan-1-ol (CID 63630961) is 2-amino-1-(2-chloro-3,4-dimethoxyphenyl)-4-methylpentan-1-ol.
What is the SMILES notation for 2-amino-1-(2-chloro-3,4-dimethoxyphenyl)-4-methylpentan-1-ol?
The canonical SMILES for 2-amino-1-(2-chloro-3,4-dimethoxyphenyl)-4-methylpentan-1-ol is COc1ccc(C(O)C(N)CC(C)C)c(Cl)c1OC.
What is the InChIKey of 2-amino-1-(2-chloro-3,4-dimethoxyphenyl)-4-methylpentan-1-ol?
The InChIKey is VMJUYSJQRSNRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO3/c1-8(2)7-10(16)13(17)9-5-6-11(18-3)14(19-4)12(9)15/h5-6,8,10,13,17H,7,16H2,1-4H3.
What are the key properties of 2-amino-1-(2-chloro-3,4-dimethoxyphenyl)-4-methylpentan-1-ol?
2-amino-1-(2-chloro-3,4-dimethoxyphenyl)-4-methylpentan-1-ol has a molecular weight of 287.79 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-chloro-3,4-dimethoxyphenyl)-4-methylpentan-1-ol is sourced from PubChem (CID 63630961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).