1-[1-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]cyclopropan-1-amine

C14H20FNO — CID 83912257

IUPAC1-[1-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]cyclopropan-1-amine
SMILESCOc1ccc(C(C(C)C)C2(N)CC2)cc1F
InChIInChI=1S/C14H20FNO/c1-9(2)13(14(16)6-7-14)10-4-5-12(17-3)11(15)8-10/h4-5,8-9,13H,6-7,16H2,1-3H3
InChIKeyKSZJLYBXTQNNHD-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.07
Rot. Bonds4

About 1-[1-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]cyclopropan-1-amine

1-[1-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]cyclopropan-1-amine (PubChem CID 83912257) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-[1-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[1-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]cyclopropan-1-amine
PubChem CID83912257
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name1-[1-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]cyclopropan-1-amine
SMILESCOc1ccc(C(C(C)C)C2(N)CC2)cc1F
InChIInChI=1S/C14H20FNO/c1-9(2)13(14(16)6-7-14)10-4-5-12(17-3)11(15)8-10/h4-5,8-9,13H,6-7,16H2,1-3H3
InChIKeyKSZJLYBXTQNNHD-UHFFFAOYSA-N
XLogP3.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-fluoro-3-[1-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]pyrrolidine
CID 122493832
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 43474173
(1R)-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171246839
(3-fluoro-4-methoxyphenyl)-(1-methoxycyclobutyl)methanamine
CID 116713947
(1R)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 97052813
1-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 81179721
[1-[amino-(3-fluoro-4-methoxyphenyl)methyl]cyclopropyl]methanol
CID 116943189
4-(dichloromethyl)-2-fluoro-1-methoxybenzene
CID 150361147
2-fluoro-1-methoxy-4-(1-methylsulfanylethyl)benzene
CID 149183279
4-butan-2-yl-2-fluoro-1-methoxybenzene
CID 126760207

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]cyclopropan-1-amine?
The IUPAC name of 1-[1-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]cyclopropan-1-amine (CID 83912257) is 1-[1-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[1-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]cyclopropan-1-amine?
The canonical SMILES for 1-[1-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]cyclopropan-1-amine is COc1ccc(C(C(C)C)C2(N)CC2)cc1F.
What is the InChIKey of 1-[1-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]cyclopropan-1-amine?
The InChIKey is KSZJLYBXTQNNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-9(2)13(14(16)6-7-14)10-4-5-12(17-3)11(15)8-10/h4-5,8-9,13H,6-7,16H2,1-3H3.
What are the key properties of 1-[1-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]cyclopropan-1-amine?
1-[1-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]cyclopropan-1-amine has a molecular weight of 237.32 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]cyclopropan-1-amine is sourced from PubChem (CID 83912257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).