N-prop-2-enyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine

C16H22F3N — CID 154621376

IUPACN-prop-2-enyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine
SMILESC=CCN(Cc1ccc(C(F)(F)F)cc1)C(C)CCC
InChIInChI=1S/C16H22F3N/c1-4-6-13(3)20(11-5-2)12-14-7-9-15(10-8-14)16(17,18)19/h5,7-10,13H,2,4,6,11-12H2,1,3H3
InChIKeyUPTNYYRMFSOIIG-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.88
Rot. Bonds7

About N-prop-2-enyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine

N-prop-2-enyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine (PubChem CID 154621376) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is N-prop-2-enyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine.

Molecular Properties

Compound NameN-prop-2-enyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine
PubChem CID154621376
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC NameN-prop-2-enyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine
SMILESC=CCN(Cc1ccc(C(F)(F)F)cc1)C(C)CCC
InChIInChI=1S/C16H22F3N/c1-4-6-13(3)20(11-5-2)12-14-7-9-15(10-8-14)16(17,18)19/h5,7-10,13H,2,4,6,11-12H2,1,3H3
InChIKeyUPTNYYRMFSOIIG-UHFFFAOYSA-N
XLogP4.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N-prop-2-enylpentan-2-amine
CID 138519029
N-prop-2-enyl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 154621355
2-[prop-2-enyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetic acid
CID 79277413
1-ethyl-4-[4-(trifluoromethyl)phenyl]benzene
CID 19095059
N'-pentan-3-yl-N'-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
CID 63761738
2-[pentan-3-yl-[[4-(trifluoromethyl)phenyl]methyl]amino]ethanol
CID 62013930
N-[(Z)-propylideneamino]-N-[[4-(trifluoromethyl)phenyl]methyl]ethenamine
CID 166672076
1-ethyl-4-(trifluoromethyl)benzene;hexane
CID 143348513
(2S)-4-methyl-2-[propan-2-yl(prop-2-enyl)amino]-1-[4-(trifluoromethyl)phenyl]pentan-3-one
CID 171576155
N-propyl-1-[4-(trifluoromethyl)phenyl]hex-5-en-2-amine
CID 104987546
(2S,3S)-2-amino-N,3-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide
CID 61259824
2-[4-[[propan-2-yl(prop-2-enyl)amino]methyl]phenyl]-N-propylpropan-1-amine
CID 105348147

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine?
The IUPAC name of N-prop-2-enyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine (CID 154621376) is N-prop-2-enyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine.
What is the SMILES notation for N-prop-2-enyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine?
The canonical SMILES for N-prop-2-enyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine is C=CCN(Cc1ccc(C(F)(F)F)cc1)C(C)CCC.
What is the InChIKey of N-prop-2-enyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine?
The InChIKey is UPTNYYRMFSOIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N/c1-4-6-13(3)20(11-5-2)12-14-7-9-15(10-8-14)16(17,18)19/h5,7-10,13H,2,4,6,11-12H2,1,3H3.
What are the key properties of N-prop-2-enyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine?
N-prop-2-enyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine has a molecular weight of 285.35 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine is sourced from PubChem (CID 154621376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).