[3-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]phenyl]methanol

C17H18ClNO2 — CID 114856939

IUPAC[3-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]phenyl]methanol
SMILESOCc1cccc(Oc2ccc(Cl)cc2CNC2CC2)c1
InChIInChI=1S/C17H18ClNO2/c18-14-4-7-17(13(9-14)10-19-15-5-6-15)21-16-3-1-2-12(8-16)11-20/h1-4,7-9,15,19-20H,5-6,10-11H2
InChIKeyBCLYNNMPXVYBDI-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.88
Rot. Bonds6

About [3-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]phenyl]methanol

[3-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]phenyl]methanol (PubChem CID 114856939) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is [3-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]phenyl]methanol
PubChem CID114856939
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name[3-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]phenyl]methanol
SMILESOCc1cccc(Oc2ccc(Cl)cc2CNC2CC2)c1
InChIInChI=1S/C17H18ClNO2/c18-14-4-7-17(13(9-14)10-19-15-5-6-15)21-16-3-1-2-12(8-16)11-20/h1-4,7-9,15,19-20H,5-6,10-11H2
InChIKeyBCLYNNMPXVYBDI-UHFFFAOYSA-N
XLogP3.88
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-chloro-2-(3-ethylphenoxy)phenyl]methyl]cyclopropanamine
CID 114855013
N-[[3-(2,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine
CID 63941329
N-[[5-chloro-2-(4-iodophenoxy)phenyl]methyl]cyclopropanamine
CID 114856120
N-[[5-chloro-2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine
CID 114857447
N-[[5-chloro-2-(2-iodophenoxy)phenyl]methyl]cyclopropanamine
CID 114856357
N-[[3-[(5-chloro-2-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 103046371
1-[5-chloro-2-[3-(methoxymethyl)phenoxy]phenyl]-N-methylmethanamine
CID 114857389
N-[[3-(2-fluoro-5-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 64855234
1-[5-chloro-2-(3-methylphenoxy)phenyl]-N-methylmethanamine
CID 114855634
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]cyclopentanamine;hydrochloride
CID 17289738
N-[[3-(3-chlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 106533350
N-[[2-(3-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 43283337

Frequently Asked Questions

What is the IUPAC name of [3-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]phenyl]methanol?
The IUPAC name of [3-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]phenyl]methanol (CID 114856939) is [3-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]phenyl]methanol.
What is the SMILES notation for [3-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]phenyl]methanol?
The canonical SMILES for [3-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]phenyl]methanol is OCc1cccc(Oc2ccc(Cl)cc2CNC2CC2)c1.
What is the InChIKey of [3-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]phenyl]methanol?
The InChIKey is BCLYNNMPXVYBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c18-14-4-7-17(13(9-14)10-19-15-5-6-15)21-16-3-1-2-12(8-16)11-20/h1-4,7-9,15,19-20H,5-6,10-11H2.
What are the key properties of [3-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]phenyl]methanol?
[3-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]phenyl]methanol has a molecular weight of 303.79 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]phenyl]methanol is sourced from PubChem (CID 114856939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).