2-[5-(2-aminoethyl)-2-chlorophenyl]phenol

C14H14ClNO — CID 115046200

IUPAC2-[5-(2-aminoethyl)-2-chlorophenyl]phenol
SMILESNCCc1ccc(Cl)c(-c2ccccc2O)c1
InChIInChI=1S/C14H14ClNO/c15-13-6-5-10(7-8-16)9-12(13)11-3-1-2-4-14(11)17/h1-6,9,17H,7-8,16H2
InChIKeyPWEOUKMTZJAGRO-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.21
Rot. Bonds3

About 2-[5-(2-aminoethyl)-2-chlorophenyl]phenol

2-[5-(2-aminoethyl)-2-chlorophenyl]phenol (PubChem CID 115046200) has the molecular formula C14H14ClNO and a molecular weight of 247.73 g/mol. Its IUPAC name is 2-[5-(2-aminoethyl)-2-chlorophenyl]phenol.

Molecular Properties

Compound Name2-[5-(2-aminoethyl)-2-chlorophenyl]phenol
PubChem CID115046200
Molecular FormulaC14H14ClNO
Molecular Weight247.73 g/mol
Exact Mass247.08
IUPAC Name2-[5-(2-aminoethyl)-2-chlorophenyl]phenol
SMILESNCCc1ccc(Cl)c(-c2ccccc2O)c1
InChIInChI=1S/C14H14ClNO/c15-13-6-5-10(7-8-16)9-12(13)11-3-1-2-4-14(11)17/h1-6,9,17H,7-8,16H2
InChIKeyPWEOUKMTZJAGRO-UHFFFAOYSA-N
XLogP3.21
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-aminoethyl)-2-(2-chlorophenyl)phenol;hydrochloride
CID 163801229
2-[5-(2-aminoethyl)-2-methylphenyl]phenol
CID 115036237
4-(2-aminoethyl)-2-chlorophenol;hydrobromide
CID 67045103
2-[4-chloro-3-(4-methylphenyl)phenyl]ethanamine
CID 115045738
2-[4-chloro-3-(3,4-difluorophenyl)phenyl]ethanamine
CID 82107251
2-(4,5-diamino-2-chlorophenyl)phenol
CID 153360343
2-(3-bromo-4-chlorophenyl)ethanamine
CID 68561444
5-(2-aminoethyl)-2-(2-hydroxyphenyl)peroxyphenol
CID 154990277
4-(2-aminoethyl)benzene-1,2-diol;nickel
CID 175198518
CID 159860777
CID 159860777
4-(2-aminoethyl)benzene-1,2-diol;methane
CID 175755753
2-(4-chloro-3-methylphenyl)ethanamine;hydrochloride
CID 134085940

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-aminoethyl)-2-chlorophenyl]phenol?
The IUPAC name of 2-[5-(2-aminoethyl)-2-chlorophenyl]phenol (CID 115046200) is 2-[5-(2-aminoethyl)-2-chlorophenyl]phenol.
What is the SMILES notation for 2-[5-(2-aminoethyl)-2-chlorophenyl]phenol?
The canonical SMILES for 2-[5-(2-aminoethyl)-2-chlorophenyl]phenol is NCCc1ccc(Cl)c(-c2ccccc2O)c1.
What is the InChIKey of 2-[5-(2-aminoethyl)-2-chlorophenyl]phenol?
The InChIKey is PWEOUKMTZJAGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c15-13-6-5-10(7-8-16)9-12(13)11-3-1-2-4-14(11)17/h1-6,9,17H,7-8,16H2.
What are the key properties of 2-[5-(2-aminoethyl)-2-chlorophenyl]phenol?
2-[5-(2-aminoethyl)-2-chlorophenyl]phenol has a molecular weight of 247.73 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-aminoethyl)-2-chlorophenyl]phenol is sourced from PubChem (CID 115046200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).