(3R)-3-[(3-fluoro-4-methylphenyl)methylamino]butan-1-ol

C12H18FNO — CID 103854790

IUPAC(3R)-3-[(3-fluoro-4-methylphenyl)methylamino]butan-1-ol
SMILESCc1ccc(CN[C@H](C)CCO)cc1F
InChIInChI=1S/C12H18FNO/c1-9-3-4-11(7-12(9)13)8-14-10(2)5-6-15/h3-4,7,10,14-15H,5-6,8H2,1-2H3/t10-/m1/s1
InChIKeyUOURKXNPKLPCQL-SNVBAGLBSA-N
MW211.28 g/mol
LogP1.99
Rot. Bonds5

About (3R)-3-[(3-fluoro-4-methylphenyl)methylamino]butan-1-ol

(3R)-3-[(3-fluoro-4-methylphenyl)methylamino]butan-1-ol (PubChem CID 103854790) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is (3R)-3-[(3-fluoro-4-methylphenyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name(3R)-3-[(3-fluoro-4-methylphenyl)methylamino]butan-1-ol
PubChem CID103854790
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name(3R)-3-[(3-fluoro-4-methylphenyl)methylamino]butan-1-ol
SMILESCc1ccc(CN[C@H](C)CCO)cc1F
InChIInChI=1S/C12H18FNO/c1-9-3-4-11(7-12(9)13)8-14-10(2)5-6-15/h3-4,7,10,14-15H,5-6,8H2,1-2H3/t10-/m1/s1
InChIKeyUOURKXNPKLPCQL-SNVBAGLBSA-N
XLogP1.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-fluoro-4-methylphenyl)methyl]-5-methylhexan-2-amine
CID 63644837
3-[(4-bromo-3-fluorophenyl)methylamino]butan-1-ol
CID 81002994
2,6-difluoro-4-[[[(2R)-4-hydroxybutan-2-yl]amino]methyl]phenol
CID 103854738
N-[(3-fluoro-4-methylphenyl)methyl]-1-phenylpropan-2-amine
CID 63647039
3-[(3-fluorophenyl)methylamino]butan-1-ol
CID 78997881
N-[(3-fluoro-4-methylphenyl)methyl]-4-(furan-2-yl)butan-2-amine
CID 55245951
N-[(3-fluoro-4-methylphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 63646240
3-[(3,5-difluorophenyl)methylamino]butan-1-ol
CID 109482032
3-[(3-methylphenyl)methylamino]butan-1-ol
CID 78997783
methyl 2-[(3-fluoro-4-methylphenyl)methylamino]propanoate
CID 63646729
2-[(3-fluoro-4-methylphenyl)methylamino]-N-propan-2-ylpropanamide
CID 112683661
N-[(3-fluoro-4-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 63646067

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3-fluoro-4-methylphenyl)methylamino]butan-1-ol?
The IUPAC name of (3R)-3-[(3-fluoro-4-methylphenyl)methylamino]butan-1-ol (CID 103854790) is (3R)-3-[(3-fluoro-4-methylphenyl)methylamino]butan-1-ol.
What is the SMILES notation for (3R)-3-[(3-fluoro-4-methylphenyl)methylamino]butan-1-ol?
The canonical SMILES for (3R)-3-[(3-fluoro-4-methylphenyl)methylamino]butan-1-ol is Cc1ccc(CN[C@H](C)CCO)cc1F.
What is the InChIKey of (3R)-3-[(3-fluoro-4-methylphenyl)methylamino]butan-1-ol?
The InChIKey is UOURKXNPKLPCQL-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18FNO/c1-9-3-4-11(7-12(9)13)8-14-10(2)5-6-15/h3-4,7,10,14-15H,5-6,8H2,1-2H3/t10-/m1/s1.
What are the key properties of (3R)-3-[(3-fluoro-4-methylphenyl)methylamino]butan-1-ol?
(3R)-3-[(3-fluoro-4-methylphenyl)methylamino]butan-1-ol has a molecular weight of 211.28 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(3-fluoro-4-methylphenyl)methylamino]butan-1-ol is sourced from PubChem (CID 103854790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).