3-[1-(2,5-dichlorophenyl)ethylamino]phenol

C14H13Cl2NO — CID 43100532

IUPAC3-[1-(2,5-dichlorophenyl)ethylamino]phenol
SMILESCC(Nc1cccc(O)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H13Cl2NO/c1-9(13-7-10(15)5-6-14(13)16)17-11-3-2-4-12(18)8-11/h2-9,17-18H,1H3
InChIKeyRTCFCOMVQLMIFL-UHFFFAOYSA-N
MW282.17 g/mol
LogP4.87
Rot. Bonds3

About 3-[1-(2,5-dichlorophenyl)ethylamino]phenol

3-[1-(2,5-dichlorophenyl)ethylamino]phenol (PubChem CID 43100532) has the molecular formula C14H13Cl2NO and a molecular weight of 282.17 g/mol. Its IUPAC name is 3-[1-(2,5-dichlorophenyl)ethylamino]phenol.

Molecular Properties

Compound Name3-[1-(2,5-dichlorophenyl)ethylamino]phenol
PubChem CID43100532
Molecular FormulaC14H13Cl2NO
Molecular Weight282.17 g/mol
Exact Mass281.04
IUPAC Name3-[1-(2,5-dichlorophenyl)ethylamino]phenol
SMILESCC(Nc1cccc(O)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H13Cl2NO/c1-9(13-7-10(15)5-6-14(13)16)17-11-3-2-4-12(18)8-11/h2-9,17-18H,1H3
InChIKeyRTCFCOMVQLMIFL-UHFFFAOYSA-N
XLogP4.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,5-dichlorophenyl)ethyl]-3-propan-2-ylaniline
CID 43098941
2-[1-(3-chloroanilino)ethyl]benzene-1,4-diol
CID 43194193
N-[1-(2,5-dichlorophenyl)ethyl]naphthalen-2-amine
CID 43680270
3-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-4-methylaniline
CID 43106779
N-[4-[1-(2,5-dichlorophenyl)ethylamino]phenyl]acetamide
CID 43111675
3-[1-(2,4-dichlorophenyl)propylamino]phenol
CID 43503411
2-chloro-4-N-[1-(2,5-dichlorophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,4-diamine
CID 63450910
4-bromo-N-[1-(2,5-dichlorophenyl)ethyl]-3-methylaniline
CID 43110743
3-[1-(2,5-dimethylphenyl)ethylamino]phenol
CID 43207007
3-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-2-methylaniline
CID 43095344
2-[1-(2,5-dichlorophenyl)ethylamino]benzoic acid
CID 43322111
2-[1-(3-chloroanilino)ethyl]-4-methylphenol
CID 43504663

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,5-dichlorophenyl)ethylamino]phenol?
The IUPAC name of 3-[1-(2,5-dichlorophenyl)ethylamino]phenol (CID 43100532) is 3-[1-(2,5-dichlorophenyl)ethylamino]phenol.
What is the SMILES notation for 3-[1-(2,5-dichlorophenyl)ethylamino]phenol?
The canonical SMILES for 3-[1-(2,5-dichlorophenyl)ethylamino]phenol is CC(Nc1cccc(O)c1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 3-[1-(2,5-dichlorophenyl)ethylamino]phenol?
The InChIKey is RTCFCOMVQLMIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO/c1-9(13-7-10(15)5-6-14(13)16)17-11-3-2-4-12(18)8-11/h2-9,17-18H,1H3.
What are the key properties of 3-[1-(2,5-dichlorophenyl)ethylamino]phenol?
3-[1-(2,5-dichlorophenyl)ethylamino]phenol has a molecular weight of 282.17 g/mol, XLogP of 4.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,5-dichlorophenyl)ethylamino]phenol is sourced from PubChem (CID 43100532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).