2-[[4-(2-chlorophenyl)anilino]methyl]phenol

C19H16ClNO — CID 122182748

IUPAC2-[[4-(2-chlorophenyl)anilino]methyl]phenol
SMILESOc1ccccc1CNc1ccc(-c2ccccc2Cl)cc1
InChIInChI=1S/C19H16ClNO/c20-18-7-3-2-6-17(18)14-9-11-16(12-10-14)21-13-15-5-1-4-8-19(15)22/h1-12,21-22H,13H2
InChIKeyHXASNEWFUHDKBN-UHFFFAOYSA-N
MW309.80 g/mol
LogP5.32
Rot. Bonds4

About 2-[[4-(2-chlorophenyl)anilino]methyl]phenol

2-[[4-(2-chlorophenyl)anilino]methyl]phenol (PubChem CID 122182748) has the molecular formula C19H16ClNO and a molecular weight of 309.80 g/mol. Its IUPAC name is 2-[[4-(2-chlorophenyl)anilino]methyl]phenol.

Molecular Properties

Compound Name2-[[4-(2-chlorophenyl)anilino]methyl]phenol
PubChem CID122182748
Molecular FormulaC19H16ClNO
Molecular Weight309.80 g/mol
Exact Mass309.09
IUPAC Name2-[[4-(2-chlorophenyl)anilino]methyl]phenol
SMILESOc1ccccc1CNc1ccc(-c2ccccc2Cl)cc1
InChIInChI=1S/C19H16ClNO/c20-18-7-3-2-6-17(18)14-9-11-16(12-10-14)21-13-15-5-1-4-8-19(15)22/h1-12,21-22H,13H2
InChIKeyHXASNEWFUHDKBN-UHFFFAOYSA-N
XLogP5.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.80
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(4-methylphenyl)anilino]methyl]phenol
CID 122182729
4-[(2-chlorophenyl)methylamino]phenol
CID 18778398
2-[(3,4-dichloroanilino)methyl]phenol
CID 5078127
2-[(4-chloro-3-fluoroanilino)methyl]phenol
CID 4913246
N-[(2-chlorophenyl)methyl]-4-iodoaniline
CID 28878735
N-[4-(2-chlorophenyl)phenyl]-2-hydroxyacetamide
CID 54430946
2-[[4-(3-fluorophenyl)anilino]methyl]phenol
CID 122182740
formaldehyde;bis(4-[(2-hydroxyphenyl)methylamino]benzenesulfonic acid)
CID 175244265
2-[[4-(1,3-thiazol-2-yl)anilino]methyl]phenol
CID 60927719
2-chloro-4-[(2-hydroxyphenyl)methylamino]benzamide
CID 43736451
1-[4-[(2-chlorophenyl)methylamino]phenyl]ethanone
CID 82095831
1-chloro-2-phenylbenzene;phosphorous acid
CID 174579348

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-chlorophenyl)anilino]methyl]phenol?
The IUPAC name of 2-[[4-(2-chlorophenyl)anilino]methyl]phenol (CID 122182748) is 2-[[4-(2-chlorophenyl)anilino]methyl]phenol.
What is the SMILES notation for 2-[[4-(2-chlorophenyl)anilino]methyl]phenol?
The canonical SMILES for 2-[[4-(2-chlorophenyl)anilino]methyl]phenol is Oc1ccccc1CNc1ccc(-c2ccccc2Cl)cc1.
What is the InChIKey of 2-[[4-(2-chlorophenyl)anilino]methyl]phenol?
The InChIKey is HXASNEWFUHDKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO/c20-18-7-3-2-6-17(18)14-9-11-16(12-10-14)21-13-15-5-1-4-8-19(15)22/h1-12,21-22H,13H2.
What are the key properties of 2-[[4-(2-chlorophenyl)anilino]methyl]phenol?
2-[[4-(2-chlorophenyl)anilino]methyl]phenol has a molecular weight of 309.80 g/mol, XLogP of 5.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-chlorophenyl)anilino]methyl]phenol is sourced from PubChem (CID 122182748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).