1-[(3-fluoro-5-methyl-4-phenylmethoxyphenyl)methyl]cyclopropan-1-amine

C18H20FNO — CID 117459780

IUPAC1-[(3-fluoro-5-methyl-4-phenylmethoxyphenyl)methyl]cyclopropan-1-amine
SMILESCc1cc(CC2(N)CC2)cc(F)c1OCc1ccccc1
InChIInChI=1S/C18H20FNO/c1-13-9-15(11-18(20)7-8-18)10-16(19)17(13)21-12-14-5-3-2-4-6-14/h2-6,9-10H,7-8,11-12,20H2,1H3
InChIKeySIAYSOTZUPFRSL-UHFFFAOYSA-N
MW285.36 g/mol
LogP3.75
Rot. Bonds5

About 1-[(3-fluoro-5-methyl-4-phenylmethoxyphenyl)methyl]cyclopropan-1-amine

1-[(3-fluoro-5-methyl-4-phenylmethoxyphenyl)methyl]cyclopropan-1-amine (PubChem CID 117459780) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 1-[(3-fluoro-5-methyl-4-phenylmethoxyphenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(3-fluoro-5-methyl-4-phenylmethoxyphenyl)methyl]cyclopropan-1-amine
PubChem CID117459780
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name1-[(3-fluoro-5-methyl-4-phenylmethoxyphenyl)methyl]cyclopropan-1-amine
SMILESCc1cc(CC2(N)CC2)cc(F)c1OCc1ccccc1
InChIInChI=1S/C18H20FNO/c1-13-9-15(11-18(20)7-8-18)10-16(19)17(13)21-12-14-5-3-2-4-6-14/h2-6,9-10H,7-8,11-12,20H2,1H3
InChIKeySIAYSOTZUPFRSL-UHFFFAOYSA-N
XLogP3.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-fluoro-3,5-dimethyl-2-phenylmethoxybenzene
CID 90166919
ethyl 2-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)acetate
CID 178032262
1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid
CID 117484065
1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)ethanamine
CID 117402181
(E)-3-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)prop-2-en-1-amine
CID 117431293
1-[(3,4-difluoro-5-methylphenyl)methyl]cyclopropan-1-amine
CID 117286906
1-fluoro-5-(1-isocyanatocyclobutyl)-3-methyl-2-phenylmethoxybenzene
CID 117496223
3-amino-1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)propan-1-one
CID 117463633
5-(chloromethyl)-1,3-difluoro-2-phenylmethoxybenzene
CID 79887883
5-(bromomethyl)-1,3-difluoro-2-phenylmethoxybenzene
CID 79888121
1-[(3-bromo-5-fluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine
CID 117437506
1-chloro-5-fluoro-3-methyl-2-phenylmethoxybenzene
CID 164895451

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-5-methyl-4-phenylmethoxyphenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(3-fluoro-5-methyl-4-phenylmethoxyphenyl)methyl]cyclopropan-1-amine (CID 117459780) is 1-[(3-fluoro-5-methyl-4-phenylmethoxyphenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(3-fluoro-5-methyl-4-phenylmethoxyphenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(3-fluoro-5-methyl-4-phenylmethoxyphenyl)methyl]cyclopropan-1-amine is Cc1cc(CC2(N)CC2)cc(F)c1OCc1ccccc1.
What is the InChIKey of 1-[(3-fluoro-5-methyl-4-phenylmethoxyphenyl)methyl]cyclopropan-1-amine?
The InChIKey is SIAYSOTZUPFRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-13-9-15(11-18(20)7-8-18)10-16(19)17(13)21-12-14-5-3-2-4-6-14/h2-6,9-10H,7-8,11-12,20H2,1H3.
What are the key properties of 1-[(3-fluoro-5-methyl-4-phenylmethoxyphenyl)methyl]cyclopropan-1-amine?
1-[(3-fluoro-5-methyl-4-phenylmethoxyphenyl)methyl]cyclopropan-1-amine has a molecular weight of 285.36 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-5-methyl-4-phenylmethoxyphenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 117459780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).