2-(aminomethyl)-2-(cyclopropylmethyl)-3-(3-fluoro-4-methoxyphenyl)propan-1-ol

C15H22FNO2 — CID 106506836

IUPAC2-(aminomethyl)-2-(cyclopropylmethyl)-3-(3-fluoro-4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(CC(CN)(CO)CC2CC2)cc1F
InChIInChI=1S/C15H22FNO2/c1-19-14-5-4-12(6-13(14)16)8-15(9-17,10-18)7-11-2-3-11/h4-6,11,18H,2-3,7-10,17H2,1H3
InChIKeyGWWSVCZDTMCZIL-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.11
Rot. Bonds7

About 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(3-fluoro-4-methoxyphenyl)propan-1-ol

2-(aminomethyl)-2-(cyclopropylmethyl)-3-(3-fluoro-4-methoxyphenyl)propan-1-ol (PubChem CID 106506836) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(3-fluoro-4-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-(cyclopropylmethyl)-3-(3-fluoro-4-methoxyphenyl)propan-1-ol
PubChem CID106506836
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name2-(aminomethyl)-2-(cyclopropylmethyl)-3-(3-fluoro-4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(CC(CN)(CO)CC2CC2)cc1F
InChIInChI=1S/C15H22FNO2/c1-19-14-5-4-12(6-13(14)16)8-15(9-17,10-18)7-11-2-3-11/h4-6,11,18H,2-3,7-10,17H2,1H3
InChIKeyGWWSVCZDTMCZIL-UHFFFAOYSA-N
XLogP2.11
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-2-(cyclopropylmethyl)-3-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 106490199
2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]butan-1-ol
CID 66058297
2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol
CID 106506240
2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]hexan-1-ol
CID 66057665
2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]hexan-1-amine
CID 62725099
2-fluoro-2-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 112566865
4-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)butan-2-amine
CID 115829847
2-(4-ethylphenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 65147032
1-(3-fluoro-4-methoxyphenyl)-3-methoxy-2-methylpropan-2-amine
CID 62622774
1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-3,4-diol
CID 106672792
4-[2,2-bis(chloromethyl)-4-methylpentyl]-2-fluoro-1-methoxybenzene
CID 79447677
2-benzyl-1-(3-fluoro-4-methoxyphenyl)butan-2-amine
CID 79008622

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(3-fluoro-4-methoxyphenyl)propan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(3-fluoro-4-methoxyphenyl)propan-1-ol (CID 106506836) is 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(3-fluoro-4-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(3-fluoro-4-methoxyphenyl)propan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(3-fluoro-4-methoxyphenyl)propan-1-ol is COc1ccc(CC(CN)(CO)CC2CC2)cc1F.
What is the InChIKey of 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(3-fluoro-4-methoxyphenyl)propan-1-ol?
The InChIKey is GWWSVCZDTMCZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-19-14-5-4-12(6-13(14)16)8-15(9-17,10-18)7-11-2-3-11/h4-6,11,18H,2-3,7-10,17H2,1H3.
What are the key properties of 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(3-fluoro-4-methoxyphenyl)propan-1-ol?
2-(aminomethyl)-2-(cyclopropylmethyl)-3-(3-fluoro-4-methoxyphenyl)propan-1-ol has a molecular weight of 267.34 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(3-fluoro-4-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 106506836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).