2-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-2-methylpropan-1-ol

C12H18ClNO2 — CID 116836078

IUPAC2-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-2-methylpropan-1-ol
SMILESCOc1cc(C)c(C(O)C(C)(C)N)cc1Cl
InChIInChI=1S/C12H18ClNO2/c1-7-5-10(16-4)9(13)6-8(7)11(15)12(2,3)14/h5-6,11,15H,14H2,1-4H3
InChIKeyZLTRMTPYYVROKH-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.43
Rot. Bonds3

About 2-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-2-methylpropan-1-ol

2-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-2-methylpropan-1-ol (PubChem CID 116836078) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 2-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-2-methylpropan-1-ol
PubChem CID116836078
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name2-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-2-methylpropan-1-ol
SMILESCOc1cc(C)c(C(O)C(C)(C)N)cc1Cl
InChIInChI=1S/C12H18ClNO2/c1-7-5-10(16-4)9(13)6-8(7)11(15)12(2,3)14/h5-6,11,15H,14H2,1-4H3
InChIKeyZLTRMTPYYVROKH-UHFFFAOYSA-N
XLogP2.43
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1-(5-chloro-4-methoxy-2-methylphenyl)propan-1-ol
CID 116863671
2-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-3-methylbutan-1-ol
CID 82300217
1-(5-chloro-4-methoxy-2-methylphenyl)-2-sulfanylethanol
CID 116829994
2-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine
CID 82284471
methyl 2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetate
CID 116856914
2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetaldehyde
CID 116939033
2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetonitrile
CID 116851014
2-chloro-2-(5-chloro-4-methoxy-2-methylphenyl)acetic acid
CID 82296774
2-amino-1-(5-chloro-4-methoxy-2-methylphenyl)ethanethiol
CID 116868616
methyl 2-(5-chloro-4-methoxy-2-methylphenyl)butanoate
CID 116964394
1-(5-chloro-2-methoxy-4-methylphenyl)ethanol
CID 82265131
2-(5-chloro-4-methoxy-2-methylphenyl)-2-(dimethylamino)ethanol
CID 116857246

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-2-methylpropan-1-ol (CID 116836078) is 2-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-2-methylpropan-1-ol is COc1cc(C)c(C(O)C(C)(C)N)cc1Cl.
What is the InChIKey of 2-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-2-methylpropan-1-ol?
The InChIKey is ZLTRMTPYYVROKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-7-5-10(16-4)9(13)6-8(7)11(15)12(2,3)14/h5-6,11,15H,14H2,1-4H3.
What are the key properties of 2-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-2-methylpropan-1-ol?
2-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-2-methylpropan-1-ol has a molecular weight of 243.73 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 116836078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).