(2R)-2-amino-2-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanol

C18H22ClNO3 — CID 66516300

IUPAC(2R)-2-amino-2-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanol
SMILESCOc1ccc([C@@H](N)CO)cc1COc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C18H22ClNO3/c1-11-6-15(7-12(2)18(11)19)23-10-14-8-13(16(20)9-21)4-5-17(14)22-3/h4-8,16,21H,9-10,20H2,1-3H3/t16-/m0/s1
InChIKeyUCACXSOPAMKQSP-INIZCTEOSA-N
MW335.83 g/mol
LogP3.54
Rot. Bonds6

About (2R)-2-amino-2-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanol

(2R)-2-amino-2-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanol (PubChem CID 66516300) has the molecular formula C18H22ClNO3 and a molecular weight of 335.83 g/mol. Its IUPAC name is (2R)-2-amino-2-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanol
PubChem CID66516300
Molecular FormulaC18H22ClNO3
Molecular Weight335.83 g/mol
Exact Mass335.13
IUPAC Name(2R)-2-amino-2-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanol
SMILESCOc1ccc([C@@H](N)CO)cc1COc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C18H22ClNO3/c1-11-6-15(7-12(2)18(11)19)23-10-14-8-13(16(20)9-21)4-5-17(14)22-3/h4-8,16,21H,9-10,20H2,1-3H3/t16-/m0/s1
InChIKeyUCACXSOPAMKQSP-INIZCTEOSA-N
XLogP3.54
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.83
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-amino-2-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanol 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

(2R)-2-amino-2-[3-(hydroxymethyl)-4-methoxyphenyl]ethanol
CID 66510832
5-[(5-bromo-2-methoxyphenyl)methoxy]-2-chloro-1,3-dimethylbenzene
CID 63458388
1-[3-[(3,4-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanamine
CID 60860414
(2R)-2-amino-2-(3-chloro-4-methoxyphenyl)ethanol
CID 42579768
2-[[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]guanidine
CID 4654556
2-[(E)-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]guanidine
CID 17387507
2-amino-2-(4-methoxy-3-propan-2-ylphenyl)ethanol
CID 82077843
2-amino-2-(4-ethoxy-3-methoxyphenyl)ethanol
CID 77128086
(2S)-2-amino-2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethanol
CID 66515047
1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanamine
CID 62156324
(2R)-2-amino-2-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]ethanol
CID 66515878
2-amino-2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethanol
CID 84694404

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanol?
The IUPAC name of (2R)-2-amino-2-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanol (CID 66516300) is (2R)-2-amino-2-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanol.
What is the SMILES notation for (2R)-2-amino-2-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanol?
The canonical SMILES for (2R)-2-amino-2-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanol is COc1ccc([C@@H](N)CO)cc1COc1cc(C)c(Cl)c(C)c1.
What is the InChIKey of (2R)-2-amino-2-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanol?
The InChIKey is UCACXSOPAMKQSP-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22ClNO3/c1-11-6-15(7-12(2)18(11)19)23-10-14-8-13(16(20)9-21)4-5-17(14)22-3/h4-8,16,21H,9-10,20H2,1-3H3/t16-/m0/s1.
What are the key properties of (2R)-2-amino-2-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanol?
(2R)-2-amino-2-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanol has a molecular weight of 335.83 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanol is sourced from PubChem (CID 66516300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).