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

C12H18FNO — CID 171219623

IUPAC(1S)-1-(2-fluoro-4-methoxyphenyl)-2-methylbutan-1-amine
SMILESCCC(C)[C@H](N)c1ccc(OC)cc1F
InChIInChI=1S/C12H18FNO/c1-4-8(2)12(14)10-6-5-9(15-3)7-11(10)13/h5-8,12H,4,14H2,1-3H3/t8?,12-/m0/s1
InChIKeySNXQXQADXZPTHF-MYIOLCAUSA-N
MW211.28 g/mol
LogP2.88
Rot. Bonds4

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

(1S)-1-(2-fluoro-4-methoxyphenyl)-2-methylbutan-1-amine (PubChem CID 171219623) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is (1S)-1-(2-fluoro-4-methoxyphenyl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name(1S)-1-(2-fluoro-4-methoxyphenyl)-2-methylbutan-1-amine
PubChem CID171219623
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name(1S)-1-(2-fluoro-4-methoxyphenyl)-2-methylbutan-1-amine
SMILESCCC(C)[C@H](N)c1ccc(OC)cc1F
InChIInChI=1S/C12H18FNO/c1-4-8(2)12(14)10-6-5-9(15-3)7-11(10)13/h5-8,12H,4,14H2,1-3H3/t8?,12-/m0/s1
InChIKeySNXQXQADXZPTHF-MYIOLCAUSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-4-methoxyphenyl)-2-methoxybutan-1-amine
CID 103395841
(1R)-2,2-difluoro-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 130665860
1-(2-bromo-4-methoxyphenyl)-2-methylbutan-1-amine
CID 60786291
(1S,2R)-1-amino-1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-2-ol
CID 171161424
4-(2-fluoro-4-methoxyphenyl)pentan-2-amine
CID 83909628
N-ethyl-1-(2-fluoro-4-methoxyphenyl)-2-methylbutan-1-amine
CID 43561454
(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)-2-methylbutan-1-amine
CID 171214001
(1S)-1-(2-fluoro-4-methoxyphenyl)propane-1,3-diamine
CID 171219591
2-amino-2-(2-fluoro-4-methoxyphenyl)ethanol
CID 55272766
(1R)-1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine
CID 171200097
(1R)-1-(2-fluoro-4-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171200074
(1S)-1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171219626

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-fluoro-4-methoxyphenyl)-2-methylbutan-1-amine?
The IUPAC name of (1S)-1-(2-fluoro-4-methoxyphenyl)-2-methylbutan-1-amine (CID 171219623) is (1S)-1-(2-fluoro-4-methoxyphenyl)-2-methylbutan-1-amine.
What is the SMILES notation for (1S)-1-(2-fluoro-4-methoxyphenyl)-2-methylbutan-1-amine?
The canonical SMILES for (1S)-1-(2-fluoro-4-methoxyphenyl)-2-methylbutan-1-amine is CCC(C)[C@H](N)c1ccc(OC)cc1F.
What is the InChIKey of (1S)-1-(2-fluoro-4-methoxyphenyl)-2-methylbutan-1-amine?
The InChIKey is SNXQXQADXZPTHF-MYIOLCAUSA-N. The full InChI is InChI=1S/C12H18FNO/c1-4-8(2)12(14)10-6-5-9(15-3)7-11(10)13/h5-8,12H,4,14H2,1-3H3/t8?,12-/m0/s1.
What are the key properties of (1S)-1-(2-fluoro-4-methoxyphenyl)-2-methylbutan-1-amine?
(1S)-1-(2-fluoro-4-methoxyphenyl)-2-methylbutan-1-amine has a molecular weight of 211.28 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-fluoro-4-methoxyphenyl)-2-methylbutan-1-amine is sourced from PubChem (CID 171219623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).