2-[(4-methoxyphenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-amine

C15H22F3NO2 — CID 62528589

IUPAC2-[(4-methoxyphenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCOc1ccc(CC(CN)CCCOCC(F)(F)F)cc1
InChIInChI=1S/C15H22F3NO2/c1-20-14-6-4-12(5-7-14)9-13(10-19)3-2-8-21-11-15(16,17)18/h4-7,13H,2-3,8-11,19H2,1H3
InChIKeyKPHHHASVOZZEDG-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.17
Rot. Bonds9

About 2-[(4-methoxyphenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-amine

2-[(4-methoxyphenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-amine (PubChem CID 62528589) has the molecular formula C15H22F3NO2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-amine.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-amine
PubChem CID62528589
Molecular FormulaC15H22F3NO2
Molecular Weight305.34 g/mol
Exact Mass305.16
IUPAC Name2-[(4-methoxyphenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCOc1ccc(CC(CN)CCCOCC(F)(F)F)cc1
InChIInChI=1S/C15H22F3NO2/c1-20-14-6-4-12(5-7-14)9-13(10-19)3-2-8-21-11-15(16,17)18/h4-7,13H,2-3,8-11,19H2,1H3
InChIKeyKPHHHASVOZZEDG-UHFFFAOYSA-N
XLogP3.17
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(3-methoxyphenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62530806
2-[(4-bromophenyl)methyl]-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62530373
2-[(3-chlorophenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62528398
2-[(4-methoxyphenyl)methyl]-4-propan-2-yloxybutan-1-amine
CID 55083614
5-ethylsulfonyl-2-[(4-methoxyphenyl)methyl]pentan-1-amine
CID 65097604
1-(4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 55095198
1-[2-(chloromethyl)-5-methoxypentyl]-4-methoxybenzene
CID 66034598
2-benzyl-5-ethoxypentan-1-amine
CID 65180415
1-[4-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]propan-2-ol
CID 115495880
1-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 62601816
1-[bis[(4-methoxyphenyl)methyl]amino]-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 166517138
2-fluoro-3-(4-methoxyphenyl)propan-1-amine
CID 84718779

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-amine (CID 62528589) is 2-[(4-methoxyphenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-amine.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-amine is COc1ccc(CC(CN)CCCOCC(F)(F)F)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The InChIKey is KPHHHASVOZZEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO2/c1-20-14-6-4-12(5-7-14)9-13(10-19)3-2-8-21-11-15(16,17)18/h4-7,13H,2-3,8-11,19H2,1H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
2-[(4-methoxyphenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-amine has a molecular weight of 305.34 g/mol, XLogP of 3.17, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-amine is sourced from PubChem (CID 62528589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).