N-(cyclohexylmethyl)-2-[3-(2,6-difluorophenyl)propoxy]-2-(2,6-dimethylphenyl)ethanamine

C26H35F2NO — CID 23502707

IUPACN-(cyclohexylmethyl)-2-[3-(2,6-difluorophenyl)propoxy]-2-(2,6-dimethylphenyl)ethanamine
SMILESCc1cccc(C)c1C(CNCC1CCCCC1)OCCCc1c(F)cccc1F
InChIInChI=1S/C26H35F2NO/c1-19-9-6-10-20(2)26(19)25(18-29-17-21-11-4-3-5-12-21)30-16-8-13-22-23(27)14-7-15-24(22)28/h6-7,9-10,14-15,21,25,29H,3-5,8,11-13,16-18H2,1-2H3
InChIKeyUATCVKRDHKHYDG-UHFFFAOYSA-N
MW415.57 g/mol
LogP6.44
Rot. Bonds10

About N-(cyclohexylmethyl)-2-[3-(2,6-difluorophenyl)propoxy]-2-(2,6-dimethylphenyl)ethanamine

N-(cyclohexylmethyl)-2-[3-(2,6-difluorophenyl)propoxy]-2-(2,6-dimethylphenyl)ethanamine (PubChem CID 23502707) has the molecular formula C26H35F2NO and a molecular weight of 415.57 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[3-(2,6-difluorophenyl)propoxy]-2-(2,6-dimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[3-(2,6-difluorophenyl)propoxy]-2-(2,6-dimethylphenyl)ethanamine
PubChem CID23502707
Molecular FormulaC26H35F2NO
Molecular Weight415.57 g/mol
Exact Mass415.27
IUPAC NameN-(cyclohexylmethyl)-2-[3-(2,6-difluorophenyl)propoxy]-2-(2,6-dimethylphenyl)ethanamine
SMILESCc1cccc(C)c1C(CNCC1CCCCC1)OCCCc1c(F)cccc1F
InChIInChI=1S/C26H35F2NO/c1-19-9-6-10-20(2)26(19)25(18-29-17-21-11-4-3-5-12-21)30-16-8-13-22-23(27)14-7-15-24(22)28/h6-7,9-10,14-15,21,25,29H,3-5,8,11-13,16-18H2,1-2H3
InChIKeyUATCVKRDHKHYDG-UHFFFAOYSA-N
XLogP6.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.57
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-[3-(2,6-difluorophenyl)propoxy]-2-(2,6-dimethylphenyl)ethanamine?
The IUPAC name of N-(cyclohexylmethyl)-2-[3-(2,6-difluorophenyl)propoxy]-2-(2,6-dimethylphenyl)ethanamine (CID 23502707) is N-(cyclohexylmethyl)-2-[3-(2,6-difluorophenyl)propoxy]-2-(2,6-dimethylphenyl)ethanamine.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[3-(2,6-difluorophenyl)propoxy]-2-(2,6-dimethylphenyl)ethanamine?
The canonical SMILES for N-(cyclohexylmethyl)-2-[3-(2,6-difluorophenyl)propoxy]-2-(2,6-dimethylphenyl)ethanamine is Cc1cccc(C)c1C(CNCC1CCCCC1)OCCCc1c(F)cccc1F.
What is the InChIKey of N-(cyclohexylmethyl)-2-[3-(2,6-difluorophenyl)propoxy]-2-(2,6-dimethylphenyl)ethanamine?
The InChIKey is UATCVKRDHKHYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35F2NO/c1-19-9-6-10-20(2)26(19)25(18-29-17-21-11-4-3-5-12-21)30-16-8-13-22-23(27)14-7-15-24(22)28/h6-7,9-10,14-15,21,25,29H,3-5,8,11-13,16-18H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-2-[3-(2,6-difluorophenyl)propoxy]-2-(2,6-dimethylphenyl)ethanamine?
N-(cyclohexylmethyl)-2-[3-(2,6-difluorophenyl)propoxy]-2-(2,6-dimethylphenyl)ethanamine has a molecular weight of 415.57 g/mol, XLogP of 6.44, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[3-(2,6-difluorophenyl)propoxy]-2-(2,6-dimethylphenyl)ethanamine is sourced from PubChem (CID 23502707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).