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

C15H16ClNO — CID 28645228

IUPAC2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol
SMILESC[C@@H](NCc1ccccc1O)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClNO/c1-11(12-6-8-14(16)9-7-12)17-10-13-4-2-3-5-15(13)18/h2-9,11,17-18H,10H2,1H3/t11-/m1/s1
InChIKeyAHNJLWRKDRPAJN-LLVKDONJSA-N
MW261.75 g/mol
LogP3.90
Rot. Bonds4

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

2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol (PubChem CID 28645228) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol.

Molecular Properties

Compound Name2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol
PubChem CID28645228
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol
SMILESC[C@@H](NCc1ccccc1O)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClNO/c1-11(12-6-8-14(16)9-7-12)17-10-13-4-2-3-5-15(13)18/h2-9,11,17-18H,10H2,1H3/t11-/m1/s1
InChIKeyAHNJLWRKDRPAJN-LLVKDONJSA-N
XLogP3.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(1-phenylethylamino)methyl]phenol
CID 3669487
4-[[1-(4-chlorophenyl)ethylamino]methyl]benzene-1,2,3-triol
CID 103953063
N-[2-[[1-(4-chlorophenyl)ethylamino]methyl]phenyl]acetamide
CID 66386038
2-[[1-(4-chlorophenyl)ethylamino]methyl]benzonitrile
CID 60693747
1-(4-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 43221556
(1R)-1-(4-chlorophenyl)-N-[(2-cyclopropylphenyl)methyl]ethanamine
CID 81356331
2-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]-4-chlorophenol
CID 78921856
N-[(3-chloro-2-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 115664149
2-[(1-naphthalen-2-ylethylamino)methyl]phenol
CID 115602905
6-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]-1,3-benzodioxol-5-ol
CID 81349985
(1S)-1-(4-chlorophenyl)-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81354039
N-[(2-chlorophenyl)methyl]-1-phenylethanamine
CID 2757411

Frequently Asked Questions

What is the IUPAC name of 2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol?
The IUPAC name of 2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol (CID 28645228) is 2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol.
What is the SMILES notation for 2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol?
The canonical SMILES for 2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol is C[C@@H](NCc1ccccc1O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol?
The InChIKey is AHNJLWRKDRPAJN-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-11(12-6-8-14(16)9-7-12)17-10-13-4-2-3-5-15(13)18/h2-9,11,17-18H,10H2,1H3/t11-/m1/s1.
What are the key properties of 2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol?
2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol has a molecular weight of 261.75 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol is sourced from PubChem (CID 28645228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).