(1-ethylcyclopentyl)-(2-fluoro-3-methoxyphenyl)methanamine

C15H22FNO — CID 105025039

IUPAC(1-ethylcyclopentyl)-(2-fluoro-3-methoxyphenyl)methanamine
SMILESCCC1(C(N)c2cccc(OC)c2F)CCCC1
InChIInChI=1S/C15H22FNO/c1-3-15(9-4-5-10-15)14(17)11-7-6-8-12(18-2)13(11)16/h6-8,14H,3-5,9-10,17H2,1-2H3
InChIKeyRSPUXMGVUBRTRZ-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.80
Rot. Bonds4

About (1-ethylcyclopentyl)-(2-fluoro-3-methoxyphenyl)methanamine

(1-ethylcyclopentyl)-(2-fluoro-3-methoxyphenyl)methanamine (PubChem CID 105025039) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is (1-ethylcyclopentyl)-(2-fluoro-3-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(1-ethylcyclopentyl)-(2-fluoro-3-methoxyphenyl)methanamine
PubChem CID105025039
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name(1-ethylcyclopentyl)-(2-fluoro-3-methoxyphenyl)methanamine
SMILESCCC1(C(N)c2cccc(OC)c2F)CCCC1
InChIInChI=1S/C15H22FNO/c1-3-15(9-4-5-10-15)14(17)11-7-6-8-12(18-2)13(11)16/h6-8,14H,3-5,9-10,17H2,1-2H3
InChIKeyRSPUXMGVUBRTRZ-UHFFFAOYSA-N
XLogP3.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-ethylcyclopentyl)-(2-propan-2-yloxyphenyl)methanamine
CID 105018311
1-(2-fluoro-3-methoxyphenyl)propan-1-amine;hydrochloride
CID 167713058
(1-ethoxycyclohexyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 116753675
(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 82808424
(2-fluoro-3-methoxyphenyl)-(1-methoxycyclopentyl)methanol
CID 104610503
2-cyclopentylsulfanyl-1-(2-fluoro-3-methoxyphenyl)ethanamine
CID 82807188
1-(2-fluoro-3-methoxyphenyl)-2-methoxy-2-methylpropan-1-amine
CID 82807508
N-[(2-fluoro-3-methoxyphenyl)-(1-methylcyclopropyl)methyl]ethanamine
CID 82811953
1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 55273473
(1S,2S)-1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 55271368
1-(2-fluoro-3-methoxyphenyl)nonan-1-amine
CID 105025092
ethyl (3S)-3-amino-3-(2-fluoro-3-methoxyphenyl)propanoate
CID 171225305

Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclopentyl)-(2-fluoro-3-methoxyphenyl)methanamine?
The IUPAC name of (1-ethylcyclopentyl)-(2-fluoro-3-methoxyphenyl)methanamine (CID 105025039) is (1-ethylcyclopentyl)-(2-fluoro-3-methoxyphenyl)methanamine.
What is the SMILES notation for (1-ethylcyclopentyl)-(2-fluoro-3-methoxyphenyl)methanamine?
The canonical SMILES for (1-ethylcyclopentyl)-(2-fluoro-3-methoxyphenyl)methanamine is CCC1(C(N)c2cccc(OC)c2F)CCCC1.
What is the InChIKey of (1-ethylcyclopentyl)-(2-fluoro-3-methoxyphenyl)methanamine?
The InChIKey is RSPUXMGVUBRTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-3-15(9-4-5-10-15)14(17)11-7-6-8-12(18-2)13(11)16/h6-8,14H,3-5,9-10,17H2,1-2H3.
What are the key properties of (1-ethylcyclopentyl)-(2-fluoro-3-methoxyphenyl)methanamine?
(1-ethylcyclopentyl)-(2-fluoro-3-methoxyphenyl)methanamine has a molecular weight of 251.34 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclopentyl)-(2-fluoro-3-methoxyphenyl)methanamine is sourced from PubChem (CID 105025039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).