1-(3-propan-2-yloxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine

C19H22F3NO — CID 112831409

IUPAC1-(3-propan-2-yloxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCC(C)Oc1cccc(C(C)NCc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C19H22F3NO/c1-13(2)24-18-6-4-5-16(11-18)14(3)23-12-15-7-9-17(10-8-15)19(20,21)22/h4-11,13-14,23H,12H2,1-3H3
InChIKeyLGXWYVYVXRLHNM-UHFFFAOYSA-N
MW337.39 g/mol
LogP5.34
Rot. Bonds6

About 1-(3-propan-2-yloxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine

1-(3-propan-2-yloxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine (PubChem CID 112831409) has the molecular formula C19H22F3NO and a molecular weight of 337.39 g/mol. Its IUPAC name is 1-(3-propan-2-yloxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name1-(3-propan-2-yloxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
PubChem CID112831409
Molecular FormulaC19H22F3NO
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Name1-(3-propan-2-yloxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCC(C)Oc1cccc(C(C)NCc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C19H22F3NO/c1-13(2)24-18-6-4-5-16(11-18)14(3)23-12-15-7-9-17(10-8-15)19(20,21)22/h4-11,13-14,23H,12H2,1-3H3
InChIKeyLGXWYVYVXRLHNM-UHFFFAOYSA-N
XLogP5.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.39
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(3-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 28541344
2-[[1-(3-propan-2-yloxyphenyl)ethylamino]methyl]phenol
CID 43694661
4-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]benzoic acid
CID 81354482
N-(2-phenylethyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 43694648
(1R)-1-(4-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 81347473
1-thiophen-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 53274741
2,2,2-trifluoro-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 62729345
N-[1-(3-propan-2-yloxyphenyl)ethyl]pentan-1-amine
CID 43694615
N-[(3-bromophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 43221563
(1R)-N-[(3,4-difluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376127
1-[3-(trifluoromethyl)phenyl]-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 78805305
1-[3-(difluoromethoxy)phenyl]-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 119126832

Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-yloxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of 1-(3-propan-2-yloxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine (CID 112831409) is 1-(3-propan-2-yloxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for 1-(3-propan-2-yloxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for 1-(3-propan-2-yloxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine is CC(C)Oc1cccc(C(C)NCc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 1-(3-propan-2-yloxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is LGXWYVYVXRLHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3NO/c1-13(2)24-18-6-4-5-16(11-18)14(3)23-12-15-7-9-17(10-8-15)19(20,21)22/h4-11,13-14,23H,12H2,1-3H3.
What are the key properties of 1-(3-propan-2-yloxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine?
1-(3-propan-2-yloxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 337.39 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-yloxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 112831409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).