5-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-2-methoxyphenol

C16H18ClNO2 — CID 28645174

IUPAC5-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-2-methoxyphenol
SMILESCOc1ccc(CN[C@H](C)c2ccc(Cl)cc2)cc1O
InChIInChI=1S/C16H18ClNO2/c1-11(13-4-6-14(17)7-5-13)18-10-12-3-8-16(20-2)15(19)9-12/h3-9,11,18-19H,10H2,1-2H3/t11-/m1/s1
InChIKeyUBICGWFPIAMBCE-LLVKDONJSA-N
MW291.78 g/mol
LogP3.90
Rot. Bonds5

About 5-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-2-methoxyphenol

5-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-2-methoxyphenol (PubChem CID 28645174) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 5-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-2-methoxyphenol
PubChem CID28645174
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name5-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-2-methoxyphenol
SMILESCOc1ccc(CN[C@H](C)c2ccc(Cl)cc2)cc1O
InChIInChI=1S/C16H18ClNO2/c1-11(13-4-6-14(17)7-5-13)18-10-12-3-8-16(20-2)15(19)9-12/h3-9,11,18-19H,10H2,1-2H3/t11-/m1/s1
InChIKeyUBICGWFPIAMBCE-LLVKDONJSA-N
XLogP3.90
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-5-[[1-(4-methoxyphenyl)ethylamino]methyl]phenol
CID 62048765
2-methoxy-5-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol
CID 81349097
5-[[1-(4-fluorophenyl)ethylamino]methyl]-2-methoxyphenol
CID 43180801
2-methoxy-5-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenol
CID 81354169
5-[[[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]methyl]-2-methoxyphenol
CID 94803138
5-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]-2-methoxyphenol
CID 28682658
2-bromo-4-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol
CID 81353451
2-methoxy-5-[[1-(2-methoxyphenyl)ethylamino]methyl]phenol
CID 43180902
(1R)-N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 28738276
2-methoxy-4-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol
CID 81348669
4-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]-2-methoxyphenol
CID 81353611
2-methoxy-5-[[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]methyl]phenol
CID 93026528

Frequently Asked Questions

What is the IUPAC name of 5-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-2-methoxyphenol?
The IUPAC name of 5-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-2-methoxyphenol (CID 28645174) is 5-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-2-methoxyphenol?
The canonical SMILES for 5-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-2-methoxyphenol is COc1ccc(CN[C@H](C)c2ccc(Cl)cc2)cc1O.
What is the InChIKey of 5-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-2-methoxyphenol?
The InChIKey is UBICGWFPIAMBCE-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-11(13-4-6-14(17)7-5-13)18-10-12-3-8-16(20-2)15(19)9-12/h3-9,11,18-19H,10H2,1-2H3/t11-/m1/s1.
What are the key properties of 5-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-2-methoxyphenol?
5-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-2-methoxyphenol has a molecular weight of 291.78 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-2-methoxyphenol is sourced from PubChem (CID 28645174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).