N-[[1-[3-(trifluoromethyl)phenyl]cyclopent-3-en-1-yl]methyl]propan-1-amine

C16H20F3N — CID 65353510

IUPACN-[[1-[3-(trifluoromethyl)phenyl]cyclopent-3-en-1-yl]methyl]propan-1-amine
SMILESCCCNCC1(c2cccc(C(F)(F)F)c2)CC=CC1
InChIInChI=1S/C16H20F3N/c1-2-10-20-12-15(8-3-4-9-15)13-6-5-7-14(11-13)16(17,18)19/h3-7,11,20H,2,8-10,12H2,1H3
InChIKeyFXVGNTSAZNJZKQ-UHFFFAOYSA-N
MW283.34 g/mol
LogP4.29
Rot. Bonds5

About N-[[1-[3-(trifluoromethyl)phenyl]cyclopent-3-en-1-yl]methyl]propan-1-amine

N-[[1-[3-(trifluoromethyl)phenyl]cyclopent-3-en-1-yl]methyl]propan-1-amine (PubChem CID 65353510) has the molecular formula C16H20F3N and a molecular weight of 283.34 g/mol. Its IUPAC name is N-[[1-[3-(trifluoromethyl)phenyl]cyclopent-3-en-1-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[3-(trifluoromethyl)phenyl]cyclopent-3-en-1-yl]methyl]propan-1-amine
PubChem CID65353510
Molecular FormulaC16H20F3N
Molecular Weight283.34 g/mol
Exact Mass283.15
IUPAC NameN-[[1-[3-(trifluoromethyl)phenyl]cyclopent-3-en-1-yl]methyl]propan-1-amine
SMILESCCCNCC1(c2cccc(C(F)(F)F)c2)CC=CC1
InChIInChI=1S/C16H20F3N/c1-2-10-20-12-15(8-3-4-9-15)13-6-5-7-14(11-13)16(17,18)19/h3-7,11,20H,2,8-10,12H2,1H3
InChIKeyFXVGNTSAZNJZKQ-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-[3-(trifluoromethyl)phenyl]spiro[2.3]hexan-5-yl]methyl]propan-1-amine
CID 65008716
N-[[3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]ethanamine
CID 64998074
N-[(1-pyridin-4-ylcyclopent-3-en-1-yl)methyl]propan-1-amine
CID 80525238
N-[[1-(4-bromophenyl)cyclopent-3-en-1-yl]methyl]propan-1-amine
CID 65353821
N-methyl-1-[3-propyl-1-[3-(trifluoromethyl)phenyl]cyclobutyl]methanamine
CID 65014048
2-methyl-1-propyl-3-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]guanidine
CID 111225219
N-[2-oxo-2-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methylamino]ethyl]propanamide
CID 71998503
N-[[5-(3-chlorophenyl)spiro[2.3]hexan-5-yl]methyl]propan-1-amine
CID 65008765
N-propyl-4-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 60996965
2-amino-2-methyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]pentanamide
CID 119772788
2-(methylamino)-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]acetamide
CID 119805131
1-[1-[(sulfamoylamino)methyl]cyclopropyl]-3-(trifluoromethyl)benzene
CID 154834670

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-(trifluoromethyl)phenyl]cyclopent-3-en-1-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[3-(trifluoromethyl)phenyl]cyclopent-3-en-1-yl]methyl]propan-1-amine (CID 65353510) is N-[[1-[3-(trifluoromethyl)phenyl]cyclopent-3-en-1-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[3-(trifluoromethyl)phenyl]cyclopent-3-en-1-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[3-(trifluoromethyl)phenyl]cyclopent-3-en-1-yl]methyl]propan-1-amine is CCCNCC1(c2cccc(C(F)(F)F)c2)CC=CC1.
What is the InChIKey of N-[[1-[3-(trifluoromethyl)phenyl]cyclopent-3-en-1-yl]methyl]propan-1-amine?
The InChIKey is FXVGNTSAZNJZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N/c1-2-10-20-12-15(8-3-4-9-15)13-6-5-7-14(11-13)16(17,18)19/h3-7,11,20H,2,8-10,12H2,1H3.
What are the key properties of N-[[1-[3-(trifluoromethyl)phenyl]cyclopent-3-en-1-yl]methyl]propan-1-amine?
N-[[1-[3-(trifluoromethyl)phenyl]cyclopent-3-en-1-yl]methyl]propan-1-amine has a molecular weight of 283.34 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(trifluoromethyl)phenyl]cyclopent-3-en-1-yl]methyl]propan-1-amine is sourced from PubChem (CID 65353510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).