N-[(3-fluoro-4-methylphenyl)methyl]-2-methoxycyclopentan-1-amine

C14H20FNO — CID 63645558

IUPACN-[(3-fluoro-4-methylphenyl)methyl]-2-methoxycyclopentan-1-amine
SMILESCOC1CCCC1NCc1ccc(C)c(F)c1
InChIInChI=1S/C14H20FNO/c1-10-6-7-11(8-12(10)15)9-16-13-4-3-5-14(13)17-2/h6-8,13-14,16H,3-5,9H2,1-2H3
InChIKeyOJSFOCYOXATAAS-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.79
Rot. Bonds4

About N-[(3-fluoro-4-methylphenyl)methyl]-2-methoxycyclopentan-1-amine

N-[(3-fluoro-4-methylphenyl)methyl]-2-methoxycyclopentan-1-amine (PubChem CID 63645558) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)methyl]-2-methoxycyclopentan-1-amine.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)methyl]-2-methoxycyclopentan-1-amine
PubChem CID63645558
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC NameN-[(3-fluoro-4-methylphenyl)methyl]-2-methoxycyclopentan-1-amine
SMILESCOC1CCCC1NCc1ccc(C)c(F)c1
InChIInChI=1S/C14H20FNO/c1-10-6-7-11(8-12(10)15)9-16-13-4-3-5-14(13)17-2/h6-8,13-14,16H,3-5,9H2,1-2H3
InChIKeyOJSFOCYOXATAAS-UHFFFAOYSA-N
XLogP2.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[(2-methoxycyclopentyl)amino]methyl]-2-methylaniline
CID 62087722
N-[(3-chloro-4-fluorophenyl)methyl]-2-methoxycyclopentan-1-amine
CID 81144626
2-methoxy-N-[(4-methyl-3-nitrophenyl)methyl]cyclopentan-1-amine
CID 62087311
2-methoxy-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 43765239
N-[(3-fluoro-4-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 63646209
2-bromo-4-[[(2-methoxycyclopentyl)amino]methyl]phenol
CID 63045556
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-methoxycyclopentan-1-amine
CID 62087852
2-methoxy-N-[(3-methoxyphenyl)methyl]cyclohexan-1-amine
CID 60874496
N-[(3-bromophenyl)methyl]-2-methoxycyclohexan-1-amine
CID 61401371
N-[(2,4-difluorophenyl)methyl]-2-methoxycyclohexan-1-amine
CID 62223825
N-(furan-3-ylmethyl)-2-methoxycyclopentan-1-amine
CID 63002147
trans-(1R,2R)-N-[2-(4-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 791642

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-2-methoxycyclopentan-1-amine?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-2-methoxycyclopentan-1-amine (CID 63645558) is N-[(3-fluoro-4-methylphenyl)methyl]-2-methoxycyclopentan-1-amine.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)methyl]-2-methoxycyclopentan-1-amine?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)methyl]-2-methoxycyclopentan-1-amine is COC1CCCC1NCc1ccc(C)c(F)c1.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)methyl]-2-methoxycyclopentan-1-amine?
The InChIKey is OJSFOCYOXATAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10-6-7-11(8-12(10)15)9-16-13-4-3-5-14(13)17-2/h6-8,13-14,16H,3-5,9H2,1-2H3.
What are the key properties of N-[(3-fluoro-4-methylphenyl)methyl]-2-methoxycyclopentan-1-amine?
N-[(3-fluoro-4-methylphenyl)methyl]-2-methoxycyclopentan-1-amine has a molecular weight of 237.32 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylphenyl)methyl]-2-methoxycyclopentan-1-amine is sourced from PubChem (CID 63645558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).