N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-2-methylcyclopentan-1-amine

C14H17BrF3NO — CID 107342348

IUPACN-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-2-methylcyclopentan-1-amine
SMILESCC1CCCC1NCc1ccc(OC(F)(F)F)c(Br)c1
InChIInChI=1S/C14H17BrF3NO/c1-9-3-2-4-12(9)19-8-10-5-6-13(11(15)7-10)20-14(16,17)18/h5-7,9,12,19H,2-4,8H2,1H3
InChIKeyUZDNADFUAJBJII-UHFFFAOYSA-N
MW352.19 g/mol
LogP4.63
Rot. Bonds4

About N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-2-methylcyclopentan-1-amine

N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-2-methylcyclopentan-1-amine (PubChem CID 107342348) has the molecular formula C14H17BrF3NO and a molecular weight of 352.19 g/mol. Its IUPAC name is N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-2-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-2-methylcyclopentan-1-amine
PubChem CID107342348
Molecular FormulaC14H17BrF3NO
Molecular Weight352.19 g/mol
Exact Mass351.04
IUPAC NameN-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-2-methylcyclopentan-1-amine
SMILESCC1CCCC1NCc1ccc(OC(F)(F)F)c(Br)c1
InChIInChI=1S/C14H17BrF3NO/c1-9-3-2-4-12(9)19-8-10-5-6-13(11(15)7-10)20-14(16,17)18/h5-7,9,12,19H,2-4,8H2,1H3
InChIKeyUZDNADFUAJBJII-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.19
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]cyclobutanamine
CID 107342333
N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]thian-3-amine
CID 107342517
N-[(4-methoxy-3-methylphenyl)methyl]-2-methylcyclopentan-1-amine
CID 55171660
N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1-methylcyclopentan-1-amine
CID 107342298
2-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1,1-dimethylhydrazine
CID 107342453
N-[(3-bromo-4-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine
CID 62397707
2-methoxy-5-[[(2-methylcyclopentyl)amino]methyl]benzonitrile
CID 65340963
N-[(4-tert-butylphenyl)methyl]-2-methylcyclopentan-1-amine
CID 55194302
N-[(3-bromophenyl)methyl]-2-methylcyclohexan-1-amine
CID 43178720
2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 43080931
2-ethoxy-4-[[(2-methylcyclopentyl)amino]methyl]phenol
CID 63278413
2-N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 107342451

Frequently Asked Questions

What is the IUPAC name of N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-2-methylcyclopentan-1-amine?
The IUPAC name of N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-2-methylcyclopentan-1-amine (CID 107342348) is N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-2-methylcyclopentan-1-amine.
What is the SMILES notation for N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-2-methylcyclopentan-1-amine?
The canonical SMILES for N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-2-methylcyclopentan-1-amine is CC1CCCC1NCc1ccc(OC(F)(F)F)c(Br)c1.
What is the InChIKey of N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-2-methylcyclopentan-1-amine?
The InChIKey is UZDNADFUAJBJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrF3NO/c1-9-3-2-4-12(9)19-8-10-5-6-13(11(15)7-10)20-14(16,17)18/h5-7,9,12,19H,2-4,8H2,1H3.
What are the key properties of N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-2-methylcyclopentan-1-amine?
N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-2-methylcyclopentan-1-amine has a molecular weight of 352.19 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-2-methylcyclopentan-1-amine is sourced from PubChem (CID 107342348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).