3-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-ol;hydrochloride

C16H18Cl2FNO2 — CID 170874554

IUPAC3-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-ol;hydrochloride
SMILESCl.NC(CCO)c1ccc(OCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C16H17ClFNO2.ClH/c17-14-2-1-3-15(18)13(14)10-21-12-6-4-11(5-7-12)16(19)8-9-20;/h1-7,16,20H,8-10,19H2;1H
InChIKeyORJWYJPGRXBTEE-UHFFFAOYSA-N
MW346.23 g/mol
LogP3.86
Rot. Bonds6

About 3-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-ol;hydrochloride

3-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-ol;hydrochloride (PubChem CID 170874554) has the molecular formula C16H18Cl2FNO2 and a molecular weight of 346.23 g/mol. Its IUPAC name is 3-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-ol;hydrochloride
PubChem CID170874554
Molecular FormulaC16H18Cl2FNO2
Molecular Weight346.23 g/mol
Exact Mass345.07
IUPAC Name3-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-ol;hydrochloride
SMILESCl.NC(CCO)c1ccc(OCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C16H17ClFNO2.ClH/c17-14-2-1-3-15(18)13(14)10-21-12-6-4-11(5-7-12)16(19)8-9-20;/h1-7,16,20H,8-10,19H2;1H
InChIKeyORJWYJPGRXBTEE-UHFFFAOYSA-N
XLogP3.86
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-ol
CID 170874555
1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-amine
CID 61495804
(1R)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethanamine
CID 63367550
1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 61496605
2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]butan-1-ol
CID 178141121
4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]but-3-yn-1-ol
CID 61496372
(3S)-3-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol;hydrochloride
CID 171219710
1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanone
CID 83950958
N-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propylidene]hydroxylamine
CID 76999636
(1R)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanamine
CID 66510475
3-amino-3-(4-chloro-3-fluorophenyl)propan-1-ol;hydrochloride
CID 170874594
3-amino-3-(4-chlorophenyl)propan-1-ol
CID 17039435

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-ol;hydrochloride?
The IUPAC name of 3-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-ol;hydrochloride (CID 170874554) is 3-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-ol;hydrochloride.
What is the SMILES notation for 3-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-ol;hydrochloride?
The canonical SMILES for 3-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-ol;hydrochloride is Cl.NC(CCO)c1ccc(OCc2c(F)cccc2Cl)cc1.
What is the InChIKey of 3-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-ol;hydrochloride?
The InChIKey is ORJWYJPGRXBTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO2.ClH/c17-14-2-1-3-15(18)13(14)10-21-12-6-4-11(5-7-12)16(19)8-9-20;/h1-7,16,20H,8-10,19H2;1H.
What are the key properties of 3-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-ol;hydrochloride?
3-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-ol;hydrochloride has a molecular weight of 346.23 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-ol;hydrochloride is sourced from PubChem (CID 170874554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).