1-(cyclopropylmethylamino)-3-(3-fluoro-4-methoxyphenyl)propan-2-one

C14H18FNO2 — CID 116557505

IUPAC1-(cyclopropylmethylamino)-3-(3-fluoro-4-methoxyphenyl)propan-2-one
SMILESCOc1ccc(CC(=O)CNCC2CC2)cc1F
InChIInChI=1S/C14H18FNO2/c1-18-14-5-4-11(7-13(14)15)6-12(17)9-16-8-10-2-3-10/h4-5,7,10,16H,2-3,6,8-9H2,1H3
InChIKeyXILLLFUXSFPEDM-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.95
Rot. Bonds7

About 1-(cyclopropylmethylamino)-3-(3-fluoro-4-methoxyphenyl)propan-2-one

1-(cyclopropylmethylamino)-3-(3-fluoro-4-methoxyphenyl)propan-2-one (PubChem CID 116557505) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-(cyclopropylmethylamino)-3-(3-fluoro-4-methoxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethylamino)-3-(3-fluoro-4-methoxyphenyl)propan-2-one
PubChem CID116557505
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name1-(cyclopropylmethylamino)-3-(3-fluoro-4-methoxyphenyl)propan-2-one
SMILESCOc1ccc(CC(=O)CNCC2CC2)cc1F
InChIInChI=1S/C14H18FNO2/c1-18-14-5-4-11(7-13(14)15)6-12(17)9-16-8-10-2-3-10/h4-5,7,10,16H,2-3,6,8-9H2,1H3
InChIKeyXILLLFUXSFPEDM-UHFFFAOYSA-N
XLogP1.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-3-(propylamino)propan-2-one
CID 116562712
1-(3-fluoro-4-methoxyphenyl)-3-hydroxypropan-2-one
CID 82282114
1-(1,1-dioxothiolan-3-yl)-3-(3-fluoro-4-methoxyphenyl)propan-2-one
CID 105085993
1-anilino-3-(3-fluoro-4-methoxyphenyl)propan-2-one
CID 116555256
2-(cyclopropylmethylamino)-N-(3-fluoro-4-methoxyphenyl)acetamide;hydrochloride
CID 119705687
N-(4-aminocyclohexyl)-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 119474491
1-(3-fluoro-4-methoxyphenyl)-4-methoxybutan-2-one
CID 62620066
1-(3,4-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-one
CID 62622130
2-(3-fluoro-4-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119509889
2-[1-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperidin-4-yl]acetic acid
CID 119178808
2-(3-fluoro-4-methoxyphenyl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 119538507
N-(2,2-difluoro-3-hydroxypropyl)-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 104858213

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethylamino)-3-(3-fluoro-4-methoxyphenyl)propan-2-one?
The IUPAC name of 1-(cyclopropylmethylamino)-3-(3-fluoro-4-methoxyphenyl)propan-2-one (CID 116557505) is 1-(cyclopropylmethylamino)-3-(3-fluoro-4-methoxyphenyl)propan-2-one.
What is the SMILES notation for 1-(cyclopropylmethylamino)-3-(3-fluoro-4-methoxyphenyl)propan-2-one?
The canonical SMILES for 1-(cyclopropylmethylamino)-3-(3-fluoro-4-methoxyphenyl)propan-2-one is COc1ccc(CC(=O)CNCC2CC2)cc1F.
What is the InChIKey of 1-(cyclopropylmethylamino)-3-(3-fluoro-4-methoxyphenyl)propan-2-one?
The InChIKey is XILLLFUXSFPEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-18-14-5-4-11(7-13(14)15)6-12(17)9-16-8-10-2-3-10/h4-5,7,10,16H,2-3,6,8-9H2,1H3.
What are the key properties of 1-(cyclopropylmethylamino)-3-(3-fluoro-4-methoxyphenyl)propan-2-one?
1-(cyclopropylmethylamino)-3-(3-fluoro-4-methoxyphenyl)propan-2-one has a molecular weight of 251.30 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethylamino)-3-(3-fluoro-4-methoxyphenyl)propan-2-one is sourced from PubChem (CID 116557505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).