[3-[1-(3-chlorophenyl)ethylamino]phenyl]methanol

C15H16ClNO — CID 43715072

IUPAC[3-[1-(3-chlorophenyl)ethylamino]phenyl]methanol
SMILESCC(Nc1cccc(CO)c1)c1cccc(Cl)c1
InChIInChI=1S/C15H16ClNO/c1-11(13-5-3-6-14(16)9-13)17-15-7-2-4-12(8-15)10-18/h2-9,11,17-18H,10H2,1H3
InChIKeyCRQCCHOQIWTYEE-UHFFFAOYSA-N
MW261.75 g/mol
LogP4.01
Rot. Bonds4

About [3-[1-(3-chlorophenyl)ethylamino]phenyl]methanol

[3-[1-(3-chlorophenyl)ethylamino]phenyl]methanol (PubChem CID 43715072) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is [3-[1-(3-chlorophenyl)ethylamino]phenyl]methanol.

Molecular Properties

Compound Name[3-[1-(3-chlorophenyl)ethylamino]phenyl]methanol
PubChem CID43715072
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name[3-[1-(3-chlorophenyl)ethylamino]phenyl]methanol
SMILESCC(Nc1cccc(CO)c1)c1cccc(Cl)c1
InChIInChI=1S/C15H16ClNO/c1-11(13-5-3-6-14(16)9-13)17-15-7-2-4-12(8-15)10-18/h2-9,11,17-18H,10H2,1H3
InChIKeyCRQCCHOQIWTYEE-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-3-fluoroaniline
CID 43104012
3-bromo-N-[1-(3-chlorophenyl)ethyl]aniline
CID 43100997
[3-[1-[3-(difluoromethoxy)phenyl]ethylamino]phenyl]methanol
CID 43714977
3,5-dichloro-N-[1-(3-chlorophenyl)ethyl]aniline
CID 43106074
N-[1-(3-chlorophenyl)ethyl]-4-propan-2-ylaniline
CID 43101592
[4-[1-[3-(hydroxymethyl)anilino]ethyl]phenyl]urea
CID 43784748
3-butan-2-yloxy-N-[1-(3-chlorophenyl)ethyl]aniline
CID 63476598
N-[1-(3-chlorophenyl)ethyl]-3,5-difluoroaniline
CID 43094786
3-[1-(3-chlorophenyl)ethylamino]-N-methylbenzenesulfonamide
CID 43688525
[3-[1-(2-fluorophenyl)ethylamino]phenyl]methanol
CID 43715146
4-bromo-N-[1-(3-chlorophenyl)ethyl]-3-methylaniline
CID 43105622
[3-[1-(2-bromophenyl)ethylamino]phenyl]methanol
CID 43715152

Frequently Asked Questions

What is the IUPAC name of [3-[1-(3-chlorophenyl)ethylamino]phenyl]methanol?
The IUPAC name of [3-[1-(3-chlorophenyl)ethylamino]phenyl]methanol (CID 43715072) is [3-[1-(3-chlorophenyl)ethylamino]phenyl]methanol.
What is the SMILES notation for [3-[1-(3-chlorophenyl)ethylamino]phenyl]methanol?
The canonical SMILES for [3-[1-(3-chlorophenyl)ethylamino]phenyl]methanol is CC(Nc1cccc(CO)c1)c1cccc(Cl)c1.
What is the InChIKey of [3-[1-(3-chlorophenyl)ethylamino]phenyl]methanol?
The InChIKey is CRQCCHOQIWTYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-11(13-5-3-6-14(16)9-13)17-15-7-2-4-12(8-15)10-18/h2-9,11,17-18H,10H2,1H3.
What are the key properties of [3-[1-(3-chlorophenyl)ethylamino]phenyl]methanol?
[3-[1-(3-chlorophenyl)ethylamino]phenyl]methanol has a molecular weight of 261.75 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(3-chlorophenyl)ethylamino]phenyl]methanol is sourced from PubChem (CID 43715072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).