N-benzyl-N-ethyl-3-[4-[2-(trifluoromethyl)cyclopropyl]phenyl]propan-1-amine

C22H26F3N — CID 70244102

IUPACN-benzyl-N-ethyl-3-[4-[2-(trifluoromethyl)cyclopropyl]phenyl]propan-1-amine
SMILESCCN(CCCc1ccc(C2CC2C(F)(F)F)cc1)Cc1ccccc1
InChIInChI=1S/C22H26F3N/c1-2-26(16-18-7-4-3-5-8-18)14-6-9-17-10-12-19(13-11-17)20-15-21(20)22(23,24)25/h3-5,7-8,10-13,20-21H,2,6,9,14-16H2,1H3
InChIKeyNXHMBENSCYBDIW-UHFFFAOYSA-N
MW361.45 g/mol
LogP5.81
Rot. Bonds8

About N-benzyl-N-ethyl-3-[4-[2-(trifluoromethyl)cyclopropyl]phenyl]propan-1-amine

N-benzyl-N-ethyl-3-[4-[2-(trifluoromethyl)cyclopropyl]phenyl]propan-1-amine (PubChem CID 70244102) has the molecular formula C22H26F3N and a molecular weight of 361.45 g/mol. Its IUPAC name is N-benzyl-N-ethyl-3-[4-[2-(trifluoromethyl)cyclopropyl]phenyl]propan-1-amine.

Molecular Properties

Compound NameN-benzyl-N-ethyl-3-[4-[2-(trifluoromethyl)cyclopropyl]phenyl]propan-1-amine
PubChem CID70244102
Molecular FormulaC22H26F3N
Molecular Weight361.45 g/mol
Exact Mass361.20
IUPAC NameN-benzyl-N-ethyl-3-[4-[2-(trifluoromethyl)cyclopropyl]phenyl]propan-1-amine
SMILESCCN(CCCc1ccc(C2CC2C(F)(F)F)cc1)Cc1ccccc1
InChIInChI=1S/C22H26F3N/c1-2-26(16-18-7-4-3-5-8-18)14-6-9-17-10-12-19(13-11-17)20-15-21(20)22(23,24)25/h3-5,7-8,10-13,20-21H,2,6,9,14-16H2,1H3
InChIKeyNXHMBENSCYBDIW-UHFFFAOYSA-N
XLogP5.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.45
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-N-ethyl-3-[4-(2-fluorocyclopentyl)phenyl]propan-1-amine
CID 70244066
N-benzyl-N-ethyl-3-[4-(3-fluorocyclopentyl)phenyl]propan-1-amine
CID 70241767
N-benzyl-3-[4-(2-chlorocyclopropyl)phenyl]-N-propylpropan-1-amine
CID 70243047
N-(2-phenylethyl)-N-propyl-3-[4-[2-(trifluoromethyl)cyclohexyl]phenyl]propan-1-amine
CID 70242553
N-ethyl-3-[4-(2-fluorocyclohexyl)phenyl]-N-(2-phenylethyl)propan-1-amine
CID 70241559
N-benzyl-3-[4-(2-bromocyclobutyl)phenyl]-N-propylpropan-1-amine
CID 70241140
N,N-diethyl-3-phenylpropan-1-amine;hydrate
CID 172794416
N,N-dibenzyl-3-phenylpropan-1-amine
CID 3867567
N-(2-phenylethyl)-N-propan-2-yl-3-[4-[2-(trifluoromethyl)cyclobutyl]phenyl]propan-1-amine
CID 70242679
3-[4-(2,3-difluorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propylpropan-1-amine
CID 70242607
N-(2-phenylethyl)-N-propyl-3-[4-[3-(trifluoromethyl)cyclopentyl]phenyl]propan-1-amine
CID 70238562
acetonitrile;N-(2-phenylethyl)-N-propyl-4-[4-[2-(trifluoromethyl)cyclopropyl]phenyl]butan-2-amine
CID 70243107

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-3-[4-[2-(trifluoromethyl)cyclopropyl]phenyl]propan-1-amine?
The IUPAC name of N-benzyl-N-ethyl-3-[4-[2-(trifluoromethyl)cyclopropyl]phenyl]propan-1-amine (CID 70244102) is N-benzyl-N-ethyl-3-[4-[2-(trifluoromethyl)cyclopropyl]phenyl]propan-1-amine.
What is the SMILES notation for N-benzyl-N-ethyl-3-[4-[2-(trifluoromethyl)cyclopropyl]phenyl]propan-1-amine?
The canonical SMILES for N-benzyl-N-ethyl-3-[4-[2-(trifluoromethyl)cyclopropyl]phenyl]propan-1-amine is CCN(CCCc1ccc(C2CC2C(F)(F)F)cc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-ethyl-3-[4-[2-(trifluoromethyl)cyclopropyl]phenyl]propan-1-amine?
The InChIKey is NXHMBENSCYBDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N/c1-2-26(16-18-7-4-3-5-8-18)14-6-9-17-10-12-19(13-11-17)20-15-21(20)22(23,24)25/h3-5,7-8,10-13,20-21H,2,6,9,14-16H2,1H3.
What are the key properties of N-benzyl-N-ethyl-3-[4-[2-(trifluoromethyl)cyclopropyl]phenyl]propan-1-amine?
N-benzyl-N-ethyl-3-[4-[2-(trifluoromethyl)cyclopropyl]phenyl]propan-1-amine has a molecular weight of 361.45 g/mol, XLogP of 5.81, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-3-[4-[2-(trifluoromethyl)cyclopropyl]phenyl]propan-1-amine is sourced from PubChem (CID 70244102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).