N-[[4-tert-butyl-1-(2,2-difluoroethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine

C17H33F2NO — CID 82005818

IUPACN-[[4-tert-butyl-1-(2,2-difluoroethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(OCC(F)F)CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H33F2NO/c1-15(2,3)13-7-9-17(10-8-13,21-11-14(18)19)12-20-16(4,5)6/h13-14,20H,7-12H2,1-6H3
InChIKeyHIFCNEQGAJSZDK-UHFFFAOYSA-N
MW305.45 g/mol
LogP4.63
Rot. Bonds5

About N-[[4-tert-butyl-1-(2,2-difluoroethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine

N-[[4-tert-butyl-1-(2,2-difluoroethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine (PubChem CID 82005818) has the molecular formula C17H33F2NO and a molecular weight of 305.45 g/mol. Its IUPAC name is N-[[4-tert-butyl-1-(2,2-difluoroethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-tert-butyl-1-(2,2-difluoroethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine
PubChem CID82005818
Molecular FormulaC17H33F2NO
Molecular Weight305.45 g/mol
Exact Mass305.25
IUPAC NameN-[[4-tert-butyl-1-(2,2-difluoroethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(OCC(F)F)CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H33F2NO/c1-15(2,3)13-7-9-17(10-8-13,21-11-14(18)19)12-20-16(4,5)6/h13-14,20H,7-12H2,1-6H3
InChIKeyHIFCNEQGAJSZDK-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 82007210
N-[(4-tert-butyl-1-propoxycyclohexyl)methyl]-2-methylpropan-2-amine
CID 63473883
N-[[4-tert-butyl-1-(cyclopropylmethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 63474782
2-methyl-N-[[1-(2-methylpropoxy)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
CID 63474982
N-[[1-(2,2-difluoroethoxy)-4-methylcyclohexyl]methyl]propan-2-amine
CID 82007335
N-[[4-tert-butyl-1-(3-methylbutoxy)cyclohexyl]methyl]propan-2-amine
CID 63475880
N-[[4-tert-butyl-1-(2-methylpentoxy)cyclohexyl]methyl]ethanamine
CID 103285214
N-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine
CID 82007334
N-[(1-methoxy-4-methylcyclohexyl)methyl]-2-methylpropan-2-amine
CID 62108177
N-[[4-tert-butyl-1-(trimethylsilylmethyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 106323491
N-[[4-tert-butyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine
CID 62109243
N-[[1-(2,2-difluoroethoxy)-4-ethylcyclohexyl]methyl]propan-2-amine
CID 82007464

Frequently Asked Questions

What is the IUPAC name of N-[[4-tert-butyl-1-(2,2-difluoroethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-tert-butyl-1-(2,2-difluoroethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine (CID 82005818) is N-[[4-tert-butyl-1-(2,2-difluoroethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-tert-butyl-1-(2,2-difluoroethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-tert-butyl-1-(2,2-difluoroethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1(OCC(F)F)CCC(C(C)(C)C)CC1.
What is the InChIKey of N-[[4-tert-butyl-1-(2,2-difluoroethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine?
The InChIKey is HIFCNEQGAJSZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33F2NO/c1-15(2,3)13-7-9-17(10-8-13,21-11-14(18)19)12-20-16(4,5)6/h13-14,20H,7-12H2,1-6H3.
What are the key properties of N-[[4-tert-butyl-1-(2,2-difluoroethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine?
N-[[4-tert-butyl-1-(2,2-difluoroethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine has a molecular weight of 305.45 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-tert-butyl-1-(2,2-difluoroethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 82005818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).