(1S)-1-(4-fluoro-2-methoxyphenyl)propan-1-amine

C10H14FNO — CID 55253804

IUPAC(1S)-1-(4-fluoro-2-methoxyphenyl)propan-1-amine
SMILESCC[C@H](N)c1ccc(F)cc1OC
InChIInChI=1S/C10H14FNO/c1-3-9(12)8-5-4-7(11)6-10(8)13-2/h4-6,9H,3,12H2,1-2H3/t9-/m0/s1
InChIKeyNNSCXVJGQJDPAC-VIFPVBQESA-N
MW183.23 g/mol
LogP2.24
Rot. Bonds3

About (1S)-1-(4-fluoro-2-methoxyphenyl)propan-1-amine

(1S)-1-(4-fluoro-2-methoxyphenyl)propan-1-amine (PubChem CID 55253804) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is (1S)-1-(4-fluoro-2-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(4-fluoro-2-methoxyphenyl)propan-1-amine
PubChem CID55253804
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name(1S)-1-(4-fluoro-2-methoxyphenyl)propan-1-amine
SMILESCC[C@H](N)c1ccc(F)cc1OC
InChIInChI=1S/C10H14FNO/c1-3-9(12)8-5-4-7(11)6-10(8)13-2/h4-6,9H,3,12H2,1-2H3/t9-/m0/s1
InChIKeyNNSCXVJGQJDPAC-VIFPVBQESA-N
XLogP2.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(4-fluoro-2-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171224876
(2R)-2-amino-2-(4-fluoro-2-methoxyphenyl)ethanol;hydrochloride
CID 171224919
(3S)-3-amino-3-(4-fluoro-2-methoxyphenyl)propanenitrile
CID 131196533
ethyl (3S)-3-amino-3-(4-fluoro-2-methoxyphenyl)propanoate
CID 171224920
(1S)-1-(4-fluoro-2-methoxyphenyl)pentane-1,5-diamine
CID 171224881
(1R,2S)-1-amino-1-(4-fluoro-2-methoxyphenyl)butan-2-ol
CID 171264524
4-[(1S)-1-aminopropyl]-3-methoxyaniline
CID 130731352
methyl (3S)-3-amino-3-(4-fluoro-2-methoxyphenyl)propanoate
CID 171243535
(1R)-1-(2-methoxyphenyl)propan-1-amine;hydrochloride
CID 53484779
1-[2-methoxy-4-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 167530945
1-(4-fluoro-2-methylphenyl)propan-1-amine
CID 62790852
(1S)-1-[2-(difluoromethyl)-5-fluorophenyl]propan-1-amine
CID 130631832

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-fluoro-2-methoxyphenyl)propan-1-amine?
The IUPAC name of (1S)-1-(4-fluoro-2-methoxyphenyl)propan-1-amine (CID 55253804) is (1S)-1-(4-fluoro-2-methoxyphenyl)propan-1-amine.
What is the SMILES notation for (1S)-1-(4-fluoro-2-methoxyphenyl)propan-1-amine?
The canonical SMILES for (1S)-1-(4-fluoro-2-methoxyphenyl)propan-1-amine is CC[C@H](N)c1ccc(F)cc1OC.
What is the InChIKey of (1S)-1-(4-fluoro-2-methoxyphenyl)propan-1-amine?
The InChIKey is NNSCXVJGQJDPAC-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14FNO/c1-3-9(12)8-5-4-7(11)6-10(8)13-2/h4-6,9H,3,12H2,1-2H3/t9-/m0/s1.
What are the key properties of (1S)-1-(4-fluoro-2-methoxyphenyl)propan-1-amine?
(1S)-1-(4-fluoro-2-methoxyphenyl)propan-1-amine has a molecular weight of 183.23 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-fluoro-2-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 55253804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).