2-[6-(4-tert-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-2-amine

C24H32F3NO — CID 67413108

IUPAC2-[6-(4-tert-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-2-amine
SMILESCC(C)(N)c1ccc2c(C(F)(F)F)c(OC3CCC(C(C)(C)C)CC3)ccc2c1
InChIInChI=1S/C24H32F3NO/c1-22(2,3)16-7-10-18(11-8-16)29-20-13-6-15-14-17(23(4,5)28)9-12-19(15)21(20)24(25,26)27/h6,9,12-14,16,18H,7-8,10-11,28H2,1-5H3
InChIKeyGWFMPMIZIPLCNB-UHFFFAOYSA-N
MW407.52 g/mol
LogP7.04
Rot. Bonds3

About 2-[6-(4-tert-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-2-amine

2-[6-(4-tert-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-2-amine (PubChem CID 67413108) has the molecular formula C24H32F3NO and a molecular weight of 407.52 g/mol. Its IUPAC name is 2-[6-(4-tert-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-2-amine.

Molecular Properties

Compound Name2-[6-(4-tert-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-2-amine
PubChem CID67413108
Molecular FormulaC24H32F3NO
Molecular Weight407.52 g/mol
Exact Mass407.24
IUPAC Name2-[6-(4-tert-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-2-amine
SMILESCC(C)(N)c1ccc2c(C(F)(F)F)c(OC3CCC(C(C)(C)C)CC3)ccc2c1
InChIInChI=1S/C24H32F3NO/c1-22(2,3)16-7-10-18(11-8-16)29-20-13-6-15-14-17(23(4,5)28)9-12-19(15)21(20)24(25,26)27/h6,9,12-14,16,18H,7-8,10-11,28H2,1-5H3
InChIKeyGWFMPMIZIPLCNB-UHFFFAOYSA-N
XLogP7.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.52
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6-Propoxy-2-naphthyl)-2-aminopropane
CID 44590295
(3S,4S)-4-ethyl-3-methyl-2,4-dihydrobenzo[h]chromen-3-amine
CID 146709966
(1S,2S)-1-ethyl-2-methyl-1,3-dihydrobenzo[f]chromen-2-amine
CID 153061504
(6-Butoxy-2-naphthyl)-2-aminopropane
CID 44590779
(6-Benzyloxy-2-naphthyl)-2-aminopropane
CID 44590780
3,3-Dimethyl-2,4-dihydrobenzo[g]chromen-4-amine
CID 168275104
2-(5-(2-Methoxy-4-(trifluoromethyl)phenyl)naphthalen-1-yl)ethanamine
CID 67997712
1-Naphthalenemethylamine, 4-isopropoxy-, hydrobromide
CID 59136
2,2-Dimethyl-1,3-dihydrobenzo[f]chromen-1-amine
CID 168289879
4-(3-Methylbutoxy)naphthalene-1-carbothioamide
CID 3924269
2-[2-Ethyl-4,5-bis(2-methylpropyl)-3-phenoxyphenyl]propan-2-amine
CID 54058444
1-[[6-(4-Tert-butylcyclohexyl)oxy-8-methylnaphthalen-2-yl]methyl]azetidine
CID 152186736

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-tert-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-2-amine?
The IUPAC name of 2-[6-(4-tert-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-2-amine (CID 67413108) is 2-[6-(4-tert-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-2-amine.
What is the SMILES notation for 2-[6-(4-tert-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-2-amine?
The canonical SMILES for 2-[6-(4-tert-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-2-amine is CC(C)(N)c1ccc2c(C(F)(F)F)c(OC3CCC(C(C)(C)C)CC3)ccc2c1.
What is the InChIKey of 2-[6-(4-tert-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-2-amine?
The InChIKey is GWFMPMIZIPLCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F3NO/c1-22(2,3)16-7-10-18(11-8-16)29-20-13-6-15-14-17(23(4,5)28)9-12-19(15)21(20)24(25,26)27/h6,9,12-14,16,18H,7-8,10-11,28H2,1-5H3.
What are the key properties of 2-[6-(4-tert-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-2-amine?
2-[6-(4-tert-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-2-amine has a molecular weight of 407.52 g/mol, XLogP of 7.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-tert-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-2-amine is sourced from PubChem (CID 67413108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).