4-[[1-(4-chlorophenyl)propan-2-ylamino]methyl]phenol

C16H18ClNO — CID 43677594

IUPAC4-[[1-(4-chlorophenyl)propan-2-ylamino]methyl]phenol
SMILESCC(Cc1ccc(Cl)cc1)NCc1ccc(O)cc1
InChIInChI=1S/C16H18ClNO/c1-12(10-13-2-6-15(17)7-3-13)18-11-14-4-8-16(19)9-5-14/h2-9,12,18-19H,10-11H2,1H3
InChIKeyLXQCJSDFEBQJJJ-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.77
Rot. Bonds5

About 4-[[1-(4-chlorophenyl)propan-2-ylamino]methyl]phenol

4-[[1-(4-chlorophenyl)propan-2-ylamino]methyl]phenol (PubChem CID 43677594) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 4-[[1-(4-chlorophenyl)propan-2-ylamino]methyl]phenol.

Molecular Properties

Compound Name4-[[1-(4-chlorophenyl)propan-2-ylamino]methyl]phenol
PubChem CID43677594
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name4-[[1-(4-chlorophenyl)propan-2-ylamino]methyl]phenol
SMILESCC(Cc1ccc(Cl)cc1)NCc1ccc(O)cc1
InChIInChI=1S/C16H18ClNO/c1-12(10-13-2-6-15(17)7-3-13)18-11-14-4-8-16(19)9-5-14/h2-9,12,18-19H,10-11H2,1H3
InChIKeyLXQCJSDFEBQJJJ-UHFFFAOYSA-N
XLogP3.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-[(4-methylphenyl)methylamino]propyl]phenol
CID 78943624
4-[2-(benzylamino)propyl]phenol;hydrobromide
CID 54609236
1-(4-chlorophenyl)-N-[(4-phenylphenyl)methyl]propan-2-amine
CID 67641931
4-[2-[[4-(dimethylamino)phenyl]methylamino]propyl]phenol
CID 78942237
N-[(4-chlorophenyl)methyl]-4-methylpentan-2-amine
CID 21355577
4-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]propyl]phenol
CID 115494470
4-[(1-hydroxypropan-2-ylamino)methyl]phenol
CID 43499774
4-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]phenol
CID 60943467
(2S)-1-[[(2R)-1-(4-chlorophenyl)propan-2-yl]amino]propan-2-ol
CID 124515229
4-[2-[(1-methylpyrazol-4-yl)methylamino]propyl]phenol
CID 78943311
N-(2-chloroethyl)-1-(4-chlorophenyl)propan-2-amine;hydrochloride
CID 160563522
4-[2-(3-methylbutylamino)propyl]phenol
CID 115493888

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-chlorophenyl)propan-2-ylamino]methyl]phenol?
The IUPAC name of 4-[[1-(4-chlorophenyl)propan-2-ylamino]methyl]phenol (CID 43677594) is 4-[[1-(4-chlorophenyl)propan-2-ylamino]methyl]phenol.
What is the SMILES notation for 4-[[1-(4-chlorophenyl)propan-2-ylamino]methyl]phenol?
The canonical SMILES for 4-[[1-(4-chlorophenyl)propan-2-ylamino]methyl]phenol is CC(Cc1ccc(Cl)cc1)NCc1ccc(O)cc1.
What is the InChIKey of 4-[[1-(4-chlorophenyl)propan-2-ylamino]methyl]phenol?
The InChIKey is LXQCJSDFEBQJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-12(10-13-2-6-15(17)7-3-13)18-11-14-4-8-16(19)9-5-14/h2-9,12,18-19H,10-11H2,1H3.
What are the key properties of 4-[[1-(4-chlorophenyl)propan-2-ylamino]methyl]phenol?
4-[[1-(4-chlorophenyl)propan-2-ylamino]methyl]phenol has a molecular weight of 275.78 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-chlorophenyl)propan-2-ylamino]methyl]phenol is sourced from PubChem (CID 43677594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).