1-[4-(cyclopentylmethoxy)-3-fluorophenyl]-N-methylmethanamine

C14H20FNO — CID 107686421

IUPAC1-[4-(cyclopentylmethoxy)-3-fluorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCC2CCCC2)c(F)c1
InChIInChI=1S/C14H20FNO/c1-16-9-12-6-7-14(13(15)8-12)17-10-11-4-2-3-5-11/h6-8,11,16H,2-5,9-10H2,1H3
InChIKeyJLLGWZDATOBZGU-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.11
Rot. Bonds5

About 1-[4-(cyclopentylmethoxy)-3-fluorophenyl]-N-methylmethanamine

1-[4-(cyclopentylmethoxy)-3-fluorophenyl]-N-methylmethanamine (PubChem CID 107686421) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-[4-(cyclopentylmethoxy)-3-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(cyclopentylmethoxy)-3-fluorophenyl]-N-methylmethanamine
PubChem CID107686421
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name1-[4-(cyclopentylmethoxy)-3-fluorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCC2CCCC2)c(F)c1
InChIInChI=1S/C14H20FNO/c1-16-9-12-6-7-14(13(15)8-12)17-10-11-4-2-3-5-11/h6-8,11,16H,2-5,9-10H2,1H3
InChIKeyJLLGWZDATOBZGU-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylmethanamine
CID 142360414
1-cyclopentyl-3-[2-fluoro-4-(methylaminomethyl)phenoxy]propan-2-ol
CID 107686518
4-(chloromethyl)-1-(cyclopentylmethoxy)-2-fluorobenzene
CID 107691255
N-cyclohexyl-2-[2-fluoro-4-(methylaminomethyl)phenoxy]acetamide
CID 107686419
1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 107686630
1-[3-(cyclohexylmethoxymethyl)-4-fluorophenyl]-N-methylmethanamine
CID 107457623
4-chloro-1-(cyclobutylmethoxy)-2-fluorobenzene
CID 130161233
1-[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 107686447
(1S)-1-[4-(cyclopentylmethoxy)-3-fluorophenyl]ethanamine
CID 79034595
1-[3-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylmethanamine
CID 107686584
1-[4-(cyclopentylmethoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine
CID 61342425
methyl 2-[2-fluoro-4-(methylaminomethyl)phenoxy]acetate
CID 107686567

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopentylmethoxy)-3-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(cyclopentylmethoxy)-3-fluorophenyl]-N-methylmethanamine (CID 107686421) is 1-[4-(cyclopentylmethoxy)-3-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(cyclopentylmethoxy)-3-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(cyclopentylmethoxy)-3-fluorophenyl]-N-methylmethanamine is CNCc1ccc(OCC2CCCC2)c(F)c1.
What is the InChIKey of 1-[4-(cyclopentylmethoxy)-3-fluorophenyl]-N-methylmethanamine?
The InChIKey is JLLGWZDATOBZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-16-9-12-6-7-14(13(15)8-12)17-10-11-4-2-3-5-11/h6-8,11,16H,2-5,9-10H2,1H3.
What are the key properties of 1-[4-(cyclopentylmethoxy)-3-fluorophenyl]-N-methylmethanamine?
1-[4-(cyclopentylmethoxy)-3-fluorophenyl]-N-methylmethanamine has a molecular weight of 237.32 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopentylmethoxy)-3-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 107686421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).