4-[2-[1-(3,4-dichlorophenyl)ethylamino]ethyl]phenol

C16H17Cl2NO — CID 61238201

IUPAC4-[2-[1-(3,4-dichlorophenyl)ethylamino]ethyl]phenol
SMILESCC(NCCc1ccc(O)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H17Cl2NO/c1-11(13-4-7-15(17)16(18)10-13)19-9-8-12-2-5-14(20)6-3-12/h2-7,10-11,19-20H,8-9H2,1H3
InChIKeyUVZFOUPHWRPOHY-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.59
Rot. Bonds5

About 4-[2-[1-(3,4-dichlorophenyl)ethylamino]ethyl]phenol

4-[2-[1-(3,4-dichlorophenyl)ethylamino]ethyl]phenol (PubChem CID 61238201) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 4-[2-[1-(3,4-dichlorophenyl)ethylamino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[1-(3,4-dichlorophenyl)ethylamino]ethyl]phenol
PubChem CID61238201
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name4-[2-[1-(3,4-dichlorophenyl)ethylamino]ethyl]phenol
SMILESCC(NCCc1ccc(O)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H17Cl2NO/c1-11(13-4-7-15(17)16(18)10-13)19-9-8-12-2-5-14(20)6-3-12/h2-7,10-11,19-20H,8-9H2,1H3
InChIKeyUVZFOUPHWRPOHY-UHFFFAOYSA-N
XLogP4.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-[1-(4-bromophenyl)ethylamino]ethyl]phenol
CID 61238708
3-[1-[2-(4-chlorophenyl)ethylamino]ethyl]phenol
CID 43202444
4-[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]ethyl]phenol
CID 61237653
3-[1-(2-phenylethylamino)ethyl]phenol
CID 43194109
4-[1-(2-thiophen-3-ylethylamino)ethyl]phenol
CID 54953254
N-[1-(3,4-dichlorophenyl)ethyl]-5-methylhexan-1-amine
CID 113287377
N-[(4-chloro-3-fluorophenyl)methyl]-1-(3,4-dichlorophenyl)ethanamine
CID 63420735
4-[1-(3,4-dichlorophenyl)ethylamino]butanamide
CID 60865196
N-[1-(3,4-dichlorophenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 55097372
N-[2-(3,4-dichlorophenyl)ethyl]butan-2-amine
CID 63046656
4-[2-(1-thieno[3,2-b]pyridin-6-ylethylamino)ethyl]phenol
CID 64830374
N-[1-(3,4-dichlorophenyl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 43105122

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(3,4-dichlorophenyl)ethylamino]ethyl]phenol?
The IUPAC name of 4-[2-[1-(3,4-dichlorophenyl)ethylamino]ethyl]phenol (CID 61238201) is 4-[2-[1-(3,4-dichlorophenyl)ethylamino]ethyl]phenol.
What is the SMILES notation for 4-[2-[1-(3,4-dichlorophenyl)ethylamino]ethyl]phenol?
The canonical SMILES for 4-[2-[1-(3,4-dichlorophenyl)ethylamino]ethyl]phenol is CC(NCCc1ccc(O)cc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-[2-[1-(3,4-dichlorophenyl)ethylamino]ethyl]phenol?
The InChIKey is UVZFOUPHWRPOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-11(13-4-7-15(17)16(18)10-13)19-9-8-12-2-5-14(20)6-3-12/h2-7,10-11,19-20H,8-9H2,1H3.
What are the key properties of 4-[2-[1-(3,4-dichlorophenyl)ethylamino]ethyl]phenol?
4-[2-[1-(3,4-dichlorophenyl)ethylamino]ethyl]phenol has a molecular weight of 310.22 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(3,4-dichlorophenyl)ethylamino]ethyl]phenol is sourced from PubChem (CID 61238201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).