[4-[(3-chlorophenyl)methyl-methylamino]-3-fluorophenyl]methanol

C15H15ClFNO — CID 61417217

IUPAC[4-[(3-chlorophenyl)methyl-methylamino]-3-fluorophenyl]methanol
SMILESCN(Cc1cccc(Cl)c1)c1ccc(CO)cc1F
InChIInChI=1S/C15H15ClFNO/c1-18(9-11-3-2-4-13(16)7-11)15-6-5-12(10-19)8-14(15)17/h2-8,19H,9-10H2,1H3
InChIKeyUUUSRZBBPQWCTL-UHFFFAOYSA-N
MW279.74 g/mol
LogP3.61
Rot. Bonds4

About [4-[(3-chlorophenyl)methyl-methylamino]-3-fluorophenyl]methanol

[4-[(3-chlorophenyl)methyl-methylamino]-3-fluorophenyl]methanol (PubChem CID 61417217) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is [4-[(3-chlorophenyl)methyl-methylamino]-3-fluorophenyl]methanol.

Molecular Properties

Compound Name[4-[(3-chlorophenyl)methyl-methylamino]-3-fluorophenyl]methanol
PubChem CID61417217
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name[4-[(3-chlorophenyl)methyl-methylamino]-3-fluorophenyl]methanol
SMILESCN(Cc1cccc(Cl)c1)c1ccc(CO)cc1F
InChIInChI=1S/C15H15ClFNO/c1-18(9-11-3-2-4-13(16)7-11)15-6-5-12(10-19)8-14(15)17/h2-8,19H,9-10H2,1H3
InChIKeyUUUSRZBBPQWCTL-UHFFFAOYSA-N
XLogP3.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

[4-[(3-chlorophenyl)methyl-methylamino]-3-methylphenyl]methanol
CID 62121892
4-(2-aminopropyl)-N-[(3-chlorophenyl)methyl]-2-fluoro-N-methylaniline
CID 63817189
[4-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-fluorophenyl]methanol
CID 61442535
2-[(1S)-1-aminoethyl]-N-[(3-chlorophenyl)methyl]-3-fluoro-N-methylaniline
CID 78934812
5-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzenecarbothioamide
CID 63518374
N-[(4-chlorophenyl)methyl]-4-(ethylaminomethyl)-2-fluoro-N-methylaniline
CID 61414703
[3-fluoro-4-[methyl(propyl)amino]phenyl]methanol
CID 43271461
[2-[(3-bromophenyl)methyl-methylamino]-5-chlorophenyl]methanol
CID 114845322
4-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzoic acid
CID 63513628
4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N,2-dimethylaniline
CID 61413515
1-[(3-chlorophenyl)methyl]-3-[[4-(dimethylamino)-3-fluorophenyl]methyl]-1-methylurea
CID 60605444
[4-chloro-2-[(4-chlorophenyl)methyl-methylamino]phenyl]methanol
CID 114845317

Frequently Asked Questions

What is the IUPAC name of [4-[(3-chlorophenyl)methyl-methylamino]-3-fluorophenyl]methanol?
The IUPAC name of [4-[(3-chlorophenyl)methyl-methylamino]-3-fluorophenyl]methanol (CID 61417217) is [4-[(3-chlorophenyl)methyl-methylamino]-3-fluorophenyl]methanol.
What is the SMILES notation for [4-[(3-chlorophenyl)methyl-methylamino]-3-fluorophenyl]methanol?
The canonical SMILES for [4-[(3-chlorophenyl)methyl-methylamino]-3-fluorophenyl]methanol is CN(Cc1cccc(Cl)c1)c1ccc(CO)cc1F.
What is the InChIKey of [4-[(3-chlorophenyl)methyl-methylamino]-3-fluorophenyl]methanol?
The InChIKey is UUUSRZBBPQWCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-18(9-11-3-2-4-13(16)7-11)15-6-5-12(10-19)8-14(15)17/h2-8,19H,9-10H2,1H3.
What are the key properties of [4-[(3-chlorophenyl)methyl-methylamino]-3-fluorophenyl]methanol?
[4-[(3-chlorophenyl)methyl-methylamino]-3-fluorophenyl]methanol has a molecular weight of 279.74 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-chlorophenyl)methyl-methylamino]-3-fluorophenyl]methanol is sourced from PubChem (CID 61417217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).