3-[3-[3-[3-(3-aminopropyl)phenyl]-5-(trifluoromethyl)phenyl]phenyl]propan-1-amine

C25H27F3N2 — CID 71678762

IUPAC3-[3-[3-[3-(3-aminopropyl)phenyl]-5-(trifluoromethyl)phenyl]phenyl]propan-1-amine
SMILESNCCCc1cccc(-c2cc(-c3cccc(CCCN)c3)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C25H27F3N2/c26-25(27,28)24-16-22(20-9-1-5-18(13-20)7-3-11-29)15-23(17-24)21-10-2-6-19(14-21)8-4-12-30/h1-2,5-6,9-10,13-17H,3-4,7-8,11-12,29-30H2
InChIKeyGQRRCOHUJWLTCG-UHFFFAOYSA-N
MW412.50 g/mol
LogP5.82
Rot. Bonds8

About 3-[3-[3-[3-(3-aminopropyl)phenyl]-5-(trifluoromethyl)phenyl]phenyl]propan-1-amine

3-[3-[3-[3-(3-aminopropyl)phenyl]-5-(trifluoromethyl)phenyl]phenyl]propan-1-amine (PubChem CID 71678762) has the molecular formula C25H27F3N2 and a molecular weight of 412.50 g/mol. Its IUPAC name is 3-[3-[3-[3-(3-aminopropyl)phenyl]-5-(trifluoromethyl)phenyl]phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[3-[3-[3-(3-aminopropyl)phenyl]-5-(trifluoromethyl)phenyl]phenyl]propan-1-amine
PubChem CID71678762
Molecular FormulaC25H27F3N2
Molecular Weight412.50 g/mol
Exact Mass412.21
IUPAC Name3-[3-[3-[3-(3-aminopropyl)phenyl]-5-(trifluoromethyl)phenyl]phenyl]propan-1-amine
SMILESNCCCc1cccc(-c2cc(-c3cccc(CCCN)c3)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C25H27F3N2/c26-25(27,28)24-16-22(20-9-1-5-18(13-20)7-3-11-29)15-23(17-24)21-10-2-6-19(14-21)8-4-12-30/h1-2,5-6,9-10,13-17H,3-4,7-8,11-12,29-30H2
InChIKeyGQRRCOHUJWLTCG-UHFFFAOYSA-N
XLogP5.82
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.50
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-phenylphenyl)propan-1-amine
CID 68886504
3-[3-[3-(trifluoromethyl)phenyl]phenyl]propan-1-ol
CID 170887677
[3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]methanamine
CID 129154957
3-[3-(2-aminoethoxy)-5-[3-[3-(2-aminoethoxy)-5-butoxyphenyl]-5-(trifluoromethyl)phenyl]phenoxy]propan-1-amine;3-[5-(3-aminopropoxy)-2,4-bis[3-(trifluoromethyl)phenyl]phenoxy]propan-1-amine;3-[3-[3-[3-(3-aminopropyl)phenyl]phenyl]phenyl]propan-1-amine;3-[3-[3-(3-butylphenyl)-5-(trifluoromethyl)phenyl]phenyl]propan-1-amine
CID 159771195
4-(3-phenylphenyl)butan-1-amine
CID 117324209
2-[3-[3-[3-[3-[3-(diaminomethylideneamino)propyl]phenyl]-5-[fluoro(diiodo)methyl]phenyl]phenyl]propyl]guanidine
CID 163889679
1-hexyl-3-[4-(trifluoromethyl)phenyl]benzene
CID 91286869
1-[3-(3-aminopropyl)phenyl]-2,2,2-trifluoroethanol
CID 84736382
2-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]acetic acid
CID 118342919
[3-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)phenyl]methanamine
CID 156612410
[3-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]methanamine
CID 156612409
[3-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride
CID 166611051

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-[3-(3-aminopropyl)phenyl]-5-(trifluoromethyl)phenyl]phenyl]propan-1-amine?
The IUPAC name of 3-[3-[3-[3-(3-aminopropyl)phenyl]-5-(trifluoromethyl)phenyl]phenyl]propan-1-amine (CID 71678762) is 3-[3-[3-[3-(3-aminopropyl)phenyl]-5-(trifluoromethyl)phenyl]phenyl]propan-1-amine.
What is the SMILES notation for 3-[3-[3-[3-(3-aminopropyl)phenyl]-5-(trifluoromethyl)phenyl]phenyl]propan-1-amine?
The canonical SMILES for 3-[3-[3-[3-(3-aminopropyl)phenyl]-5-(trifluoromethyl)phenyl]phenyl]propan-1-amine is NCCCc1cccc(-c2cc(-c3cccc(CCCN)c3)cc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-[3-[3-[3-(3-aminopropyl)phenyl]-5-(trifluoromethyl)phenyl]phenyl]propan-1-amine?
The InChIKey is GQRRCOHUJWLTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N2/c26-25(27,28)24-16-22(20-9-1-5-18(13-20)7-3-11-29)15-23(17-24)21-10-2-6-19(14-21)8-4-12-30/h1-2,5-6,9-10,13-17H,3-4,7-8,11-12,29-30H2.
What are the key properties of 3-[3-[3-[3-(3-aminopropyl)phenyl]-5-(trifluoromethyl)phenyl]phenyl]propan-1-amine?
3-[3-[3-[3-(3-aminopropyl)phenyl]-5-(trifluoromethyl)phenyl]phenyl]propan-1-amine has a molecular weight of 412.50 g/mol, XLogP of 5.82, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-[3-(3-aminopropyl)phenyl]-5-(trifluoromethyl)phenyl]phenyl]propan-1-amine is sourced from PubChem (CID 71678762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).