3-[[(4-chlorophenyl)methylamino]methyl]phenol

C14H14ClNO — CID 28738427

IUPAC3-[[(4-chlorophenyl)methylamino]methyl]phenol
SMILESOc1cccc(CNCc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H14ClNO/c15-13-6-4-11(5-7-13)9-16-10-12-2-1-3-14(17)8-12/h1-8,16-17H,9-10H2
InChIKeyMWSWRMBCDXNBES-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.34
Rot. Bonds4

About 3-[[(4-chlorophenyl)methylamino]methyl]phenol

3-[[(4-chlorophenyl)methylamino]methyl]phenol (PubChem CID 28738427) has the molecular formula C14H14ClNO and a molecular weight of 247.73 g/mol. Its IUPAC name is 3-[[(4-chlorophenyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name3-[[(4-chlorophenyl)methylamino]methyl]phenol
PubChem CID28738427
Molecular FormulaC14H14ClNO
Molecular Weight247.73 g/mol
Exact Mass247.08
IUPAC Name3-[[(4-chlorophenyl)methylamino]methyl]phenol
SMILESOc1cccc(CNCc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H14ClNO/c15-13-6-4-11(5-7-13)9-16-10-12-2-1-3-14(17)8-12/h1-8,16-17H,9-10H2
InChIKeyMWSWRMBCDXNBES-UHFFFAOYSA-N
XLogP3.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]phenol
CID 55087063
[3-[[(4-chlorophenyl)methylamino]methyl]phenyl]methanamine
CID 115212992
3-[2-[6-[2-(4-chlorophenyl)ethylamino]hexylamino]ethyl]phenol;hydrobromide
CID 44522479
3-(propylaminomethyl)phenol
CID 10725714
3-[[2-(ethylamino)ethylamino]methyl]phenol
CID 83962894
3-[(2,2-dimethylpropylamino)methyl]phenol
CID 61168386
4-[[[3-(difluoromethyl)phenyl]methylamino]methyl]phenol
CID 114331434
1-[(4-chlorophenyl)methyl]-3-ethyl-2-[(3-hydroxyphenyl)methyl]guanidine;hydroiodide
CID 111130923
4-[[(2,6-dichlorophenyl)methylamino]methyl]phenol
CID 115603316
2-[4-[[(3-chlorophenyl)methylamino]methyl]phenyl]acetic acid
CID 103248717
3-[[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylamino]methyl]phenol
CID 75405291
3-[(5-chloro-2-ethoxyanilino)methyl]phenol
CID 54865545

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-chlorophenyl)methylamino]methyl]phenol?
The IUPAC name of 3-[[(4-chlorophenyl)methylamino]methyl]phenol (CID 28738427) is 3-[[(4-chlorophenyl)methylamino]methyl]phenol.
What is the SMILES notation for 3-[[(4-chlorophenyl)methylamino]methyl]phenol?
The canonical SMILES for 3-[[(4-chlorophenyl)methylamino]methyl]phenol is Oc1cccc(CNCc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[[(4-chlorophenyl)methylamino]methyl]phenol?
The InChIKey is MWSWRMBCDXNBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c15-13-6-4-11(5-7-13)9-16-10-12-2-1-3-14(17)8-12/h1-8,16-17H,9-10H2.
What are the key properties of 3-[[(4-chlorophenyl)methylamino]methyl]phenol?
3-[[(4-chlorophenyl)methylamino]methyl]phenol has a molecular weight of 247.73 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-chlorophenyl)methylamino]methyl]phenol is sourced from PubChem (CID 28738427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).