1-(4-fluoro-3-methylphenyl)-1-(1-methoxycyclopentyl)-N-methylmethanamine

C15H22FNO — CID 104611026

IUPAC1-(4-fluoro-3-methylphenyl)-1-(1-methoxycyclopentyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)c(C)c1)C1(OC)CCCC1
InChIInChI=1S/C15H22FNO/c1-11-10-12(6-7-13(11)16)14(17-2)15(18-3)8-4-5-9-15/h6-7,10,14,17H,4-5,8-9H2,1-3H3
InChIKeyMQKFIRCAQYQGEI-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.35
Rot. Bonds4

About 1-(4-fluoro-3-methylphenyl)-1-(1-methoxycyclopentyl)-N-methylmethanamine

1-(4-fluoro-3-methylphenyl)-1-(1-methoxycyclopentyl)-N-methylmethanamine (PubChem CID 104611026) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-1-(1-methoxycyclopentyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-1-(1-methoxycyclopentyl)-N-methylmethanamine
PubChem CID104611026
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name1-(4-fluoro-3-methylphenyl)-1-(1-methoxycyclopentyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)c(C)c1)C1(OC)CCCC1
InChIInChI=1S/C15H22FNO/c1-11-10-12(6-7-13(11)16)14(17-2)15(18-3)8-4-5-9-15/h6-7,10,14,17H,4-5,8-9H2,1-3H3
InChIKeyMQKFIRCAQYQGEI-UHFFFAOYSA-N
XLogP3.35
TPSA21.26 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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-3-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine
CID 116766499
1-(1-ethoxycycloheptyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 116770881
1-(1-methoxycyclopentyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 104611046
1-[1-(aminomethyl)cyclobutyl]-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 116958754
1-(1-methoxycyclohexyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 116762847
1-(2,6-difluorophenyl)-1-(1-methoxycyclopentyl)-N-methylmethanamine
CID 104611051
1-(2,6-difluorophenyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine
CID 116770190
1-(1-methoxycyclohexyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 116762916
1-(1-methoxycycloheptyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 116770175
1-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine
CID 116763076
1-[(3-fluoro-4-methylphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 107128925
1-[(4-fluoro-3-methylphenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine
CID 105243772

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-1-(1-methoxycyclopentyl)-N-methylmethanamine?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-1-(1-methoxycyclopentyl)-N-methylmethanamine (CID 104611026) is 1-(4-fluoro-3-methylphenyl)-1-(1-methoxycyclopentyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-1-(1-methoxycyclopentyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-1-(1-methoxycyclopentyl)-N-methylmethanamine is CNC(c1ccc(F)c(C)c1)C1(OC)CCCC1.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-1-(1-methoxycyclopentyl)-N-methylmethanamine?
The InChIKey is MQKFIRCAQYQGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-11-10-12(6-7-13(11)16)14(17-2)15(18-3)8-4-5-9-15/h6-7,10,14,17H,4-5,8-9H2,1-3H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-1-(1-methoxycyclopentyl)-N-methylmethanamine?
1-(4-fluoro-3-methylphenyl)-1-(1-methoxycyclopentyl)-N-methylmethanamine has a molecular weight of 251.34 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-1-(1-methoxycyclopentyl)-N-methylmethanamine is sourced from PubChem (CID 104611026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).