1-(aminomethyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine

C15H21F3N2O — CID 62010342

IUPAC1-(aminomethyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine
SMILESCN(Cc1ccc(OC(F)(F)F)cc1)C1(CN)CCCC1
InChIInChI=1S/C15H21F3N2O/c1-20(14(11-19)8-2-3-9-14)10-12-4-6-13(7-5-12)21-15(16,17)18/h4-7H,2-3,8-11,19H2,1H3
InChIKeyRMFVWEKICFFPAY-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.29
Rot. Bonds5

About 1-(aminomethyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine

1-(aminomethyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine (PubChem CID 62010342) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is 1-(aminomethyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine
PubChem CID62010342
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name1-(aminomethyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine
SMILESCN(Cc1ccc(OC(F)(F)F)cc1)C1(CN)CCCC1
InChIInChI=1S/C15H21F3N2O/c1-20(14(11-19)8-2-3-9-14)10-12-4-6-13(7-5-12)21-15(16,17)18/h4-7H,2-3,8-11,19H2,1H3
InChIKeyRMFVWEKICFFPAY-UHFFFAOYSA-N
XLogP3.29
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[4-(trifluoromethoxy)phenyl]methoxy]cyclopentyl]methanamine
CID 65051034
1-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopentan-1-amine
CID 61420272
1-(aminomethyl)-N-(furan-3-ylmethyl)-N-methylcyclooctan-1-amine
CID 61422834
N',2,2-trimethyl-N'-[[4-(trifluoromethoxy)phenyl]methyl]propane-1,3-diamine
CID 79652388
1-(aminomethyl)-3-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylcyclobutan-1-amine
CID 106821852
1-(1-ethylcyclopentyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine
CID 115843446
1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine
CID 63454373
[1-(1-methylcyclopentyl)-2-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105296915
1-(aminomethyl)-N-ethyl-N-[(4-ethylphenyl)methyl]cycloheptan-1-amine
CID 63480828
2-methoxy-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 70831051
1-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopropan-1-amine
CID 106661100
N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine
CID 43607736

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine (CID 62010342) is 1-(aminomethyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine is CN(Cc1ccc(OC(F)(F)F)cc1)C1(CN)CCCC1.
What is the InChIKey of 1-(aminomethyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine?
The InChIKey is RMFVWEKICFFPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-20(14(11-19)8-2-3-9-14)10-12-4-6-13(7-5-12)21-15(16,17)18/h4-7H,2-3,8-11,19H2,1H3.
What are the key properties of 1-(aminomethyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine?
1-(aminomethyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine has a molecular weight of 302.34 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine is sourced from PubChem (CID 62010342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).