(1S)-3-fluoro-1-(4-methoxy-3,5-dimethylphenyl)propan-1-amine

C12H18FNO — CID 171231243

IUPAC(1S)-3-fluoro-1-(4-methoxy-3,5-dimethylphenyl)propan-1-amine
SMILESCOc1c(C)cc([C@@H](N)CCF)cc1C
InChIInChI=1S/C12H18FNO/c1-8-6-10(11(14)4-5-13)7-9(2)12(8)15-3/h6-7,11H,4-5,14H2,1-3H3/t11-/m0/s1
InChIKeyOJWUXIXRVOTIRF-NSHDSACASA-N
MW211.28 g/mol
LogP2.67
Rot. Bonds4

About (1S)-3-fluoro-1-(4-methoxy-3,5-dimethylphenyl)propan-1-amine

(1S)-3-fluoro-1-(4-methoxy-3,5-dimethylphenyl)propan-1-amine (PubChem CID 171231243) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is (1S)-3-fluoro-1-(4-methoxy-3,5-dimethylphenyl)propan-1-amine.

Molecular Properties

Compound Name(1S)-3-fluoro-1-(4-methoxy-3,5-dimethylphenyl)propan-1-amine
PubChem CID171231243
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name(1S)-3-fluoro-1-(4-methoxy-3,5-dimethylphenyl)propan-1-amine
SMILESCOc1c(C)cc([C@@H](N)CCF)cc1C
InChIInChI=1S/C12H18FNO/c1-8-6-10(11(14)4-5-13)7-9(2)12(8)15-3/h6-7,11H,4-5,14H2,1-3H3/t11-/m0/s1
InChIKeyOJWUXIXRVOTIRF-NSHDSACASA-N
XLogP2.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-amino-4-(4-methoxy-3,5-dimethylphenyl)butan-1-ol
CID 171231269
(1R)-1-(4-methoxy-3,5-dimethylphenyl)propan-1-amine;hydrochloride
CID 171211620
(1R)-1-(4-methoxy-3,5-dimethylphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171211631
(1R)-3-amino-1-(4-methoxy-3,5-dimethylphenyl)propan-1-ol
CID 96774274
1-(4-methoxy-3,5-dimethylphenyl)-3-(oxan-2-yl)propan-1-amine
CID 83056985
(1R)-1-(3,4,5-trimethoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171199597
5-(1-amino-2-hydroxyethyl)-2-methoxy-3-methylphenol
CID 117287047
(1R)-2-fluoro-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 28820340
(1S)-1-(3,4-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171218870
1-(4-methoxy-3,5-dimethylphenyl)-N,N-dimethylbutane-1,4-diamine
CID 116905197
3-(4-methoxy-3-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 117343733
2-amino-1-(4-methoxy-3,5-dimethylphenyl)propan-1-ol
CID 82395059

Frequently Asked Questions

What is the IUPAC name of (1S)-3-fluoro-1-(4-methoxy-3,5-dimethylphenyl)propan-1-amine?
The IUPAC name of (1S)-3-fluoro-1-(4-methoxy-3,5-dimethylphenyl)propan-1-amine (CID 171231243) is (1S)-3-fluoro-1-(4-methoxy-3,5-dimethylphenyl)propan-1-amine.
What is the SMILES notation for (1S)-3-fluoro-1-(4-methoxy-3,5-dimethylphenyl)propan-1-amine?
The canonical SMILES for (1S)-3-fluoro-1-(4-methoxy-3,5-dimethylphenyl)propan-1-amine is COc1c(C)cc([C@@H](N)CCF)cc1C.
What is the InChIKey of (1S)-3-fluoro-1-(4-methoxy-3,5-dimethylphenyl)propan-1-amine?
The InChIKey is OJWUXIXRVOTIRF-NSHDSACASA-N. The full InChI is InChI=1S/C12H18FNO/c1-8-6-10(11(14)4-5-13)7-9(2)12(8)15-3/h6-7,11H,4-5,14H2,1-3H3/t11-/m0/s1.
What are the key properties of (1S)-3-fluoro-1-(4-methoxy-3,5-dimethylphenyl)propan-1-amine?
(1S)-3-fluoro-1-(4-methoxy-3,5-dimethylphenyl)propan-1-amine has a molecular weight of 211.28 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-fluoro-1-(4-methoxy-3,5-dimethylphenyl)propan-1-amine is sourced from PubChem (CID 171231243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).