(3R)-3-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol

C10H14FNO — CID 55264636

IUPAC(3R)-3-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol
SMILESCc1cc(F)ccc1[C@H](N)CCO
InChIInChI=1S/C10H14FNO/c1-7-6-8(11)2-3-9(7)10(12)4-5-13/h2-3,6,10,13H,4-5,12H2,1H3/t10-/m1/s1
InChIKeyDMGVZWNRSQNRNB-SNVBAGLBSA-N
MW183.23 g/mol
LogP1.52
Rot. Bonds3

About (3R)-3-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol

(3R)-3-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol (PubChem CID 55264636) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is (3R)-3-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol
PubChem CID55264636
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name(3R)-3-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol
SMILESCc1cc(F)ccc1[C@H](N)CCO
InChIInChI=1S/C10H14FNO/c1-7-6-8(11)2-3-9(7)10(12)4-5-13/h2-3,6,10,13H,4-5,12H2,1H3/t10-/m1/s1
InChIKeyDMGVZWNRSQNRNB-SNVBAGLBSA-N
XLogP1.52
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(4-fluoro-2-methylphenyl)butan-1-amine;hydrochloride
CID 171221352
(3S)-3-amino-3-(2,4-difluorophenyl)propan-1-ol;hydrochloride
CID 126963755
1-(4-fluoro-2-methylphenyl)propan-1-amine
CID 62790852
(1R)-1-(4-fluoro-2-methylphenyl)pentane-1,5-diamine;hydrochloride
CID 171201812
3-amino-3-(2-bromo-4-fluorophenyl)propan-1-ol
CID 84706428
(3S)-3-amino-3-(4-chloro-2-methylphenyl)propan-1-ol
CID 131144923
1-(4-fluoro-2-methylphenyl)ethanamine
CID 62791014
1-(4-fluoro-2-methylphenyl)-3-methylbutan-1-amine
CID 62791857
1,2-bis(4-fluoro-2-methylphenyl)ethanamine
CID 114348216
(3S)-3-amino-3-(2-chloro-5-fluorophenyl)propan-1-ol;hydrochloride
CID 171224218
(3R)-3-amino-3-(4-fluoro-2-methylphenyl)propanenitrile;hydrochloride
CID 162344714
1-(4-fluoro-2-methylphenyl)-2-phenylethanamine
CID 62790331

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol?
The IUPAC name of (3R)-3-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol (CID 55264636) is (3R)-3-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol.
What is the SMILES notation for (3R)-3-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol?
The canonical SMILES for (3R)-3-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol is Cc1cc(F)ccc1[C@H](N)CCO.
What is the InChIKey of (3R)-3-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol?
The InChIKey is DMGVZWNRSQNRNB-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H14FNO/c1-7-6-8(11)2-3-9(7)10(12)4-5-13/h2-3,6,10,13H,4-5,12H2,1H3/t10-/m1/s1.
What are the key properties of (3R)-3-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol?
(3R)-3-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol has a molecular weight of 183.23 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol is sourced from PubChem (CID 55264636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).