trans-(1R,2S)-2-(4-fluoro-3-methoxyphenyl)cyclopropan-1-amine

C10H12FNO — CID 138987328

IUPACtrans-(1R,2S)-2-(4-fluoro-3-methoxyphenyl)cyclopropan-1-amine
SMILESCOc1cc([C@@H]2C[C@H]2N)ccc1F
InChIInChI=1S/C10H12FNO/c1-13-10-4-6(2-3-8(10)11)7-5-9(7)12/h2-4,7,9H,5,12H2,1H3/t7-,9+/m0/s1
InChIKeyNQNDTDWDLXXUOZ-IONNQARKSA-N
MW181.21 g/mol
LogP1.65
Rot. Bonds2

About trans-(1R,2S)-2-(4-fluoro-3-methoxyphenyl)cyclopropan-1-amine

trans-(1R,2S)-2-(4-fluoro-3-methoxyphenyl)cyclopropan-1-amine (PubChem CID 138987328) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is trans-(1R,2S)-2-(4-fluoro-3-methoxyphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2S)-2-(4-fluoro-3-methoxyphenyl)cyclopropan-1-amine
PubChem CID138987328
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Nametrans-(1R,2S)-2-(4-fluoro-3-methoxyphenyl)cyclopropan-1-amine
SMILESCOc1cc([C@@H]2C[C@H]2N)ccc1F
InChIInChI=1S/C10H12FNO/c1-13-10-4-6(2-3-8(10)11)7-5-9(7)12/h2-4,7,9H,5,12H2,1H3/t7-,9+/m0/s1
InChIKeyNQNDTDWDLXXUOZ-IONNQARKSA-N
XLogP1.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2S)-2-(3-methoxy-4-methylphenyl)cyclopropan-1-amine
CID 54194061
trans-(1R,2R)-2-(4-fluoro-3-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 138987329
trans-(1S,2R)-2-(3,4-difluorophenyl)cyclopropan-1-amine;trans-(1R,2S)-2-(3,4-difluorophenyl)cyclopropan-1-amine
CID 154925657
(1R)-2-(4-fluoro-3-methylphenyl)cyclopropan-1-amine
CID 70211695
trans-(1S,2R)-2-[6-(3,4-difluoro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine
CID 56654365
trans-(1R,2S)-2-[6-(3,4-difluoro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine
CID 66714534
2-(3-cyclopentyloxy-4-methoxyphenyl)cyclopropan-1-amine
CID 70068192
2-(3-fluoro-4-methoxyphenyl)cyclopentan-1-amine
CID 62795099
4-(3-fluoro-4-methoxyphenyl)pyrrolidin-3-amine
CID 82612413
4-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]-1,2-dimethoxybenzene
CID 71406141
4-(3-fluoro-4-methoxyphenyl)-1-methylpyrrolidin-3-amine
CID 82391825
2-(4-butoxy-3-fluorophenyl)cyclopropan-1-amine;hydrochloride
CID 141455419

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-(4-fluoro-3-methoxyphenyl)cyclopropan-1-amine?
The IUPAC name of trans-(1R,2S)-2-(4-fluoro-3-methoxyphenyl)cyclopropan-1-amine (CID 138987328) is trans-(1R,2S)-2-(4-fluoro-3-methoxyphenyl)cyclopropan-1-amine.
What is the SMILES notation for trans-(1R,2S)-2-(4-fluoro-3-methoxyphenyl)cyclopropan-1-amine?
The canonical SMILES for trans-(1R,2S)-2-(4-fluoro-3-methoxyphenyl)cyclopropan-1-amine is COc1cc([C@@H]2C[C@H]2N)ccc1F.
What is the InChIKey of trans-(1R,2S)-2-(4-fluoro-3-methoxyphenyl)cyclopropan-1-amine?
The InChIKey is NQNDTDWDLXXUOZ-IONNQARKSA-N. The full InChI is InChI=1S/C10H12FNO/c1-13-10-4-6(2-3-8(10)11)7-5-9(7)12/h2-4,7,9H,5,12H2,1H3/t7-,9+/m0/s1.
What are the key properties of trans-(1R,2S)-2-(4-fluoro-3-methoxyphenyl)cyclopropan-1-amine?
trans-(1R,2S)-2-(4-fluoro-3-methoxyphenyl)cyclopropan-1-amine has a molecular weight of 181.21 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-(4-fluoro-3-methoxyphenyl)cyclopropan-1-amine is sourced from PubChem (CID 138987328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).