N-[2-[4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenyl]ethyl]cyclopropanamine

C16H23F3N2 — CID 105347883

IUPACN-[2-[4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenyl]ethyl]cyclopropanamine
SMILESCN(CCC(F)(F)F)Cc1ccc(CCNC2CC2)cc1
InChIInChI=1S/C16H23F3N2/c1-21(11-9-16(17,18)19)12-14-4-2-13(3-5-14)8-10-20-15-6-7-15/h2-5,15,20H,6-12H2,1H3
InChIKeyQLNGNPZGYSWXOL-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.37
Rot. Bonds8

About N-[2-[4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenyl]ethyl]cyclopropanamine

N-[2-[4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenyl]ethyl]cyclopropanamine (PubChem CID 105347883) has the molecular formula C16H23F3N2 and a molecular weight of 300.37 g/mol. Its IUPAC name is N-[2-[4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenyl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenyl]ethyl]cyclopropanamine
PubChem CID105347883
Molecular FormulaC16H23F3N2
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC NameN-[2-[4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenyl]ethyl]cyclopropanamine
SMILESCN(CCC(F)(F)F)Cc1ccc(CCNC2CC2)cc1
InChIInChI=1S/C16H23F3N2/c1-21(11-9-16(17,18)19)12-14-4-2-13(3-5-14)8-10-20-15-6-7-15/h2-5,15,20H,6-12H2,1H3
InChIKeyQLNGNPZGYSWXOL-UHFFFAOYSA-N
XLogP3.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenyl]ethyl]cyclopropanamine
CID 105348031
N-[2-[4-[[methyl(2-methylpropyl)amino]methyl]phenyl]ethyl]cyclopropanamine
CID 105346897
N-[2-[4-[[methyl(2-methylprop-2-enyl)amino]methyl]phenyl]ethyl]cyclopropanamine
CID 105348285
N-[2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanamine
CID 62114541
N-[2-[4-(diethylaminomethyl)phenyl]ethyl]cyclopropanamine
CID 105346462
N-[2-(4-ethylphenyl)ethyl]cyclopropanamine
CID 62550255
N-cyclopropyl-N'-[2-(4-ethylphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 115207125
N'-[(4-bromophenyl)methyl]-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 63503276
N-cyclopropyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 55071227
4-[2-(cyclopropylamino)ethyl]-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 106032282
N-cyclohexyl-N'-methyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 62573288
N-[2-[4-[[2-(dimethylamino)-2-methylpropoxy]methyl]phenyl]ethyl]cyclopropanamine
CID 105351121

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenyl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenyl]ethyl]cyclopropanamine (CID 105347883) is N-[2-[4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenyl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenyl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenyl]ethyl]cyclopropanamine is CN(CCC(F)(F)F)Cc1ccc(CCNC2CC2)cc1.
What is the InChIKey of N-[2-[4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenyl]ethyl]cyclopropanamine?
The InChIKey is QLNGNPZGYSWXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2/c1-21(11-9-16(17,18)19)12-14-4-2-13(3-5-14)8-10-20-15-6-7-15/h2-5,15,20H,6-12H2,1H3.
What are the key properties of N-[2-[4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenyl]ethyl]cyclopropanamine?
N-[2-[4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenyl]ethyl]cyclopropanamine has a molecular weight of 300.37 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenyl]ethyl]cyclopropanamine is sourced from PubChem (CID 105347883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).