N-prop-2-enyl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine

C14H18F3N — CID 154621355

IUPACN-prop-2-enyl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
SMILESC=CCN(CCC)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H18F3N/c1-3-9-18(10-4-2)11-12-5-7-13(8-6-12)14(15,16)17/h3,5-8H,1,4,9-11H2,2H3
InChIKeyNMSWCHFREQMKHI-UHFFFAOYSA-N
MW257.30 g/mol
LogP4.10
Rot. Bonds6

About N-prop-2-enyl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine

N-prop-2-enyl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine (PubChem CID 154621355) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is N-prop-2-enyl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-prop-2-enyl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
PubChem CID154621355
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC NameN-prop-2-enyl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
SMILESC=CCN(CCC)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H18F3N/c1-3-9-18(10-4-2)11-12-5-7-13(8-6-12)14(15,16)17/h3,5-8H,1,4,9-11H2,2H3
InChIKeyNMSWCHFREQMKHI-UHFFFAOYSA-N
XLogP4.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 54.10
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-methylphenyl)methyl]-N-prop-2-enylpropan-1-amine
CID 138519013
2-[prop-2-enyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetic acid
CID 79277413
N-prop-2-enyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine
CID 154621376
N,N,N',N'-tetrakis[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
CID 139171038
2-bromo-N-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 80679836
N-benzyl-N-prop-2-enyldodecan-1-amine
CID 67899805
N-[(3-propan-2-ylphenyl)methyl]-N-prop-2-enylpropan-1-amine
CID 143498981
2,6-dichloro-4-[[prop-2-enyl(propyl)amino]methyl]aniline
CID 82841853
N',N'-diethyl-N-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine
CID 142134445
N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-N-ethylpropan-1-amine
CID 143282104
N-[(Z)-propylideneamino]-N-[[4-(trifluoromethyl)phenyl]methyl]ethenamine
CID 166672076
N-[(2,5-dimethylphenyl)methyl]-N-prop-2-enylpropan-1-amine
CID 135265211

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-prop-2-enyl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine (CID 154621355) is N-prop-2-enyl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-prop-2-enyl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-prop-2-enyl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine is C=CCN(CCC)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-prop-2-enyl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine?
The InChIKey is NMSWCHFREQMKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c1-3-9-18(10-4-2)11-12-5-7-13(8-6-12)14(15,16)17/h3,5-8H,1,4,9-11H2,2H3.
What are the key properties of N-prop-2-enyl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine?
N-prop-2-enyl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine has a molecular weight of 257.30 g/mol, XLogP of 4.10, 6 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]propan-1-amine is sourced from PubChem (CID 154621355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).