N-[1-(2-methylcyclopropyl)-2-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine

C16H22F3NO — CID 65421078

IUPACN-[1-(2-methylcyclopropyl)-2-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(OC(F)(F)F)cc1)C1CC1C
InChIInChI=1S/C16H22F3NO/c1-3-8-20-15(14-9-11(14)2)10-12-4-6-13(7-5-12)21-16(17,18)19/h4-7,11,14-15,20H,3,8-10H2,1-2H3
InChIKeyRTNDGTRFAYWSCY-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.15
Rot. Bonds7

About N-[1-(2-methylcyclopropyl)-2-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine

N-[1-(2-methylcyclopropyl)-2-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine (PubChem CID 65421078) has the molecular formula C16H22F3NO and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[1-(2-methylcyclopropyl)-2-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-methylcyclopropyl)-2-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine
PubChem CID65421078
Molecular FormulaC16H22F3NO
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC NameN-[1-(2-methylcyclopropyl)-2-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(OC(F)(F)F)cc1)C1CC1C
InChIInChI=1S/C16H22F3NO/c1-3-8-20-15(14-9-11(14)2)10-12-4-6-13(7-5-12)21-16(17,18)19/h4-7,11,14-15,20H,3,8-10H2,1-2H3
InChIKeyRTNDGTRFAYWSCY-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-methoxyphenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine
CID 61065705
3-methyl-N-propyl-4-[4-(trifluoromethoxy)phenyl]butan-2-amine
CID 60995873
N-ethyl-2-(4-ethylphenyl)-1-(2-methylcyclopropyl)ethanamine
CID 65422577
N-ethyl-2-(4-fluorophenyl)-1-(2-methylcyclopropyl)ethanamine
CID 61066085
N-[2-(3-chlorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine
CID 55083879
N-methyl-1-(3-methyloxolan-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanamine
CID 115843431
N-[[4-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 28586305
N-[(4-ethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine
CID 43496613
N-[2-(4-methoxyphenyl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine
CID 114825858
N-[2-(2-bromo-5-fluorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine
CID 65419774
N-[(2-methylcyclopropyl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 65419758
N-propyl-3-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 62528830

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylcyclopropyl)-2-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-(2-methylcyclopropyl)-2-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine (CID 65421078) is N-[1-(2-methylcyclopropyl)-2-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-methylcyclopropyl)-2-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-methylcyclopropyl)-2-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine is CCCNC(Cc1ccc(OC(F)(F)F)cc1)C1CC1C.
What is the InChIKey of N-[1-(2-methylcyclopropyl)-2-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine?
The InChIKey is RTNDGTRFAYWSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO/c1-3-8-20-15(14-9-11(14)2)10-12-4-6-13(7-5-12)21-16(17,18)19/h4-7,11,14-15,20H,3,8-10H2,1-2H3.
What are the key properties of N-[1-(2-methylcyclopropyl)-2-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine?
N-[1-(2-methylcyclopropyl)-2-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine has a molecular weight of 301.35 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylcyclopropyl)-2-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 65421078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).