(1-aminocyclopropyl)-(5-chloro-2-methoxy-4-methylphenyl)methanol

C12H16ClNO2 — CID 116836167

IUPAC(1-aminocyclopropyl)-(5-chloro-2-methoxy-4-methylphenyl)methanol
SMILESCOc1cc(C)c(Cl)cc1C(O)C1(N)CC1
InChIInChI=1S/C12H16ClNO2/c1-7-5-10(16-2)8(6-9(7)13)11(15)12(14)3-4-12/h5-6,11,15H,3-4,14H2,1-2H3
InChIKeyGLZQMLHREUEXAT-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.18
Rot. Bonds3

About (1-aminocyclopropyl)-(5-chloro-2-methoxy-4-methylphenyl)methanol

(1-aminocyclopropyl)-(5-chloro-2-methoxy-4-methylphenyl)methanol (PubChem CID 116836167) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is (1-aminocyclopropyl)-(5-chloro-2-methoxy-4-methylphenyl)methanol.

Molecular Properties

Compound Name(1-aminocyclopropyl)-(5-chloro-2-methoxy-4-methylphenyl)methanol
PubChem CID116836167
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name(1-aminocyclopropyl)-(5-chloro-2-methoxy-4-methylphenyl)methanol
SMILESCOc1cc(C)c(Cl)cc1C(O)C1(N)CC1
InChIInChI=1S/C12H16ClNO2/c1-7-5-10(16-2)8(6-9(7)13)11(15)12(14)3-4-12/h5-6,11,15H,3-4,14H2,1-2H3
InChIKeyGLZQMLHREUEXAT-UHFFFAOYSA-N
XLogP2.18
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1-aminocyclopropyl)-(5-chloro-2-methoxy-4-methylphenyl)methanol 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

1-(5-chloro-2-methoxy-4-methylphenyl)ethanol
CID 82265131
amino-(5-chloro-2-methoxy-4-methylphenyl)methanethiol
CID 116939471
2-chloro-1-(5-chloro-2-methoxy-4-methylphenyl)ethanol
CID 116863542
1-[(5-chloro-4-methoxy-2-methylphenyl)-(dimethylamino)methyl]cyclopropan-1-amine
CID 116914136
(1-aminocyclopropyl)-(2-chloro-5-fluoro-4-methylphenyl)methanol
CID 116836252
1-amino-4-(5-chloro-2-methoxy-4-methylphenyl)pentan-2-ol
CID 83937557
(1R)-1-(5-chloro-2-methoxy-4-methylphenyl)ethane-1,2-diamine
CID 66517766
3-amino-2-(5-chloro-2-methoxy-4-methylphenyl)propan-1-ol
CID 82288669
(1S)-1-(5-chloro-2-methoxy-4-methylphenyl)prop-2-en-1-amine
CID 130747269
(1-aminocyclopropyl)-(4-methoxy-3,5-dimethylphenyl)methanol
CID 116836231
2-[1-(5-chloro-2-methoxy-4-methylphenyl)ethyl]propane-1,3-diamine
CID 83937480
1-(5-chloro-2-methoxy-4-methylphenyl)-3-methylsulfanylpropan-1-ol
CID 116831112

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopropyl)-(5-chloro-2-methoxy-4-methylphenyl)methanol?
The IUPAC name of (1-aminocyclopropyl)-(5-chloro-2-methoxy-4-methylphenyl)methanol (CID 116836167) is (1-aminocyclopropyl)-(5-chloro-2-methoxy-4-methylphenyl)methanol.
What is the SMILES notation for (1-aminocyclopropyl)-(5-chloro-2-methoxy-4-methylphenyl)methanol?
The canonical SMILES for (1-aminocyclopropyl)-(5-chloro-2-methoxy-4-methylphenyl)methanol is COc1cc(C)c(Cl)cc1C(O)C1(N)CC1.
What is the InChIKey of (1-aminocyclopropyl)-(5-chloro-2-methoxy-4-methylphenyl)methanol?
The InChIKey is GLZQMLHREUEXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-7-5-10(16-2)8(6-9(7)13)11(15)12(14)3-4-12/h5-6,11,15H,3-4,14H2,1-2H3.
What are the key properties of (1-aminocyclopropyl)-(5-chloro-2-methoxy-4-methylphenyl)methanol?
(1-aminocyclopropyl)-(5-chloro-2-methoxy-4-methylphenyl)methanol has a molecular weight of 241.72 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopropyl)-(5-chloro-2-methoxy-4-methylphenyl)methanol is sourced from PubChem (CID 116836167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).