N-[(4-cyclohexyloxy-3,5-difluorophenyl)methyl]-2-methylpropan-2-amine

C17H25F2NO — CID 79883669

IUPACN-[(4-cyclohexyloxy-3,5-difluorophenyl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cc(F)c(OC2CCCCC2)c(F)c1
InChIInChI=1S/C17H25F2NO/c1-17(2,3)20-11-12-9-14(18)16(15(19)10-12)21-13-7-5-4-6-8-13/h9-10,13,20H,4-8,11H2,1-3H3
InChIKeyZSESARTWIGNIGR-UHFFFAOYSA-N
MW297.39 g/mol
LogP4.56
Rot. Bonds4

About N-[(4-cyclohexyloxy-3,5-difluorophenyl)methyl]-2-methylpropan-2-amine

N-[(4-cyclohexyloxy-3,5-difluorophenyl)methyl]-2-methylpropan-2-amine (PubChem CID 79883669) has the molecular formula C17H25F2NO and a molecular weight of 297.39 g/mol. Its IUPAC name is N-[(4-cyclohexyloxy-3,5-difluorophenyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(4-cyclohexyloxy-3,5-difluorophenyl)methyl]-2-methylpropan-2-amine
PubChem CID79883669
Molecular FormulaC17H25F2NO
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC NameN-[(4-cyclohexyloxy-3,5-difluorophenyl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cc(F)c(OC2CCCCC2)c(F)c1
InChIInChI=1S/C17H25F2NO/c1-17(2,3)20-11-12-9-14(18)16(15(19)10-12)21-13-7-5-4-6-8-13/h9-10,13,20H,4-8,11H2,1-3H3
InChIKeyZSESARTWIGNIGR-UHFFFAOYSA-N
XLogP4.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-cyclohexyloxy-3,5-difluorophenyl)methyl]-2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-cyclohexyloxy-3-fluorophenyl)methyl]-2-methylpropan-2-amine
CID 107688391
N-[(4-cyclopentyloxy-3,5-difluorophenyl)methyl]cyclopropanamine
CID 79891658
5-(bromomethyl)-2-cyclohexyloxy-1,3-difluorobenzene
CID 79888123
2-(4-cycloheptyloxy-3,5-difluorophenyl)ethanamine
CID 82930013
N-[(3-cyclohexyloxyphenyl)methyl]-2-methylpropan-2-amine
CID 55148555
N-[(3-chloro-4-cycloheptyloxyphenyl)methyl]-2-methylpropan-2-amine
CID 82927497
N-[(3,5-difluoro-4-hexoxyphenyl)methyl]-2-methylpropan-2-amine
CID 79883668
1-[3,5-difluoro-4-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine
CID 79892077
2-methyl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine
CID 63051342
N-[[3,5-difluoro-4-(3-methoxycyclohexyl)oxyphenyl]methyl]ethanamine
CID 79882223
N-[(4-cyclohex-2-en-1-yloxy-3-fluorophenyl)methyl]-2-methylpropan-2-amine
CID 107688657
1-[4-(4-ethylcyclohexyl)oxy-3,5-difluorophenyl]-N-methylmethanamine
CID 79892159

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclohexyloxy-3,5-difluorophenyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(4-cyclohexyloxy-3,5-difluorophenyl)methyl]-2-methylpropan-2-amine (CID 79883669) is N-[(4-cyclohexyloxy-3,5-difluorophenyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(4-cyclohexyloxy-3,5-difluorophenyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(4-cyclohexyloxy-3,5-difluorophenyl)methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cc(F)c(OC2CCCCC2)c(F)c1.
What is the InChIKey of N-[(4-cyclohexyloxy-3,5-difluorophenyl)methyl]-2-methylpropan-2-amine?
The InChIKey is ZSESARTWIGNIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2NO/c1-17(2,3)20-11-12-9-14(18)16(15(19)10-12)21-13-7-5-4-6-8-13/h9-10,13,20H,4-8,11H2,1-3H3.
What are the key properties of N-[(4-cyclohexyloxy-3,5-difluorophenyl)methyl]-2-methylpropan-2-amine?
N-[(4-cyclohexyloxy-3,5-difluorophenyl)methyl]-2-methylpropan-2-amine has a molecular weight of 297.39 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclohexyloxy-3,5-difluorophenyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 79883669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).