N-[(4-cyclohexyloxy-3-fluorophenyl)methyl]-2-methylpropan-2-amine

C17H26FNO — CID 107688391

IUPACN-[(4-cyclohexyloxy-3-fluorophenyl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(OC2CCCCC2)c(F)c1
InChIInChI=1S/C17H26FNO/c1-17(2,3)19-12-13-9-10-16(15(18)11-13)20-14-7-5-4-6-8-14/h9-11,14,19H,4-8,12H2,1-3H3
InChIKeyPZGSTWGWTIFYOV-UHFFFAOYSA-N
MW279.40 g/mol
LogP4.43
Rot. Bonds4

About N-[(4-cyclohexyloxy-3-fluorophenyl)methyl]-2-methylpropan-2-amine

N-[(4-cyclohexyloxy-3-fluorophenyl)methyl]-2-methylpropan-2-amine (PubChem CID 107688391) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is N-[(4-cyclohexyloxy-3-fluorophenyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(4-cyclohexyloxy-3-fluorophenyl)methyl]-2-methylpropan-2-amine
PubChem CID107688391
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC NameN-[(4-cyclohexyloxy-3-fluorophenyl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(OC2CCCCC2)c(F)c1
InChIInChI=1S/C17H26FNO/c1-17(2,3)19-12-13-9-10-16(15(18)11-13)20-14-7-5-4-6-8-14/h9-11,14,19H,4-8,12H2,1-3H3
InChIKeyPZGSTWGWTIFYOV-UHFFFAOYSA-N
XLogP4.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-cyclohexyloxy-3-fluorophenyl)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-[(3-chloro-4-cycloheptyloxyphenyl)methyl]-2-methylpropan-2-amine
CID 82927497
N-[(4-cyclohex-2-en-1-yloxy-3-fluorophenyl)methyl]-2-methylpropan-2-amine
CID 107688657
N-[(4-cycloheptyloxy-3-fluorophenyl)methyl]ethanamine
CID 107687057
N-[(4-cyclohexyloxy-3,5-difluorophenyl)methyl]-2-methylpropan-2-amine
CID 79883669
(4-cycloheptyloxy-3-fluorophenyl)methanol
CID 107690655
N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 103848215
N-[(3-cyclohexyloxyphenyl)methyl]-2-methylpropan-2-amine
CID 55148555
N-[(3-fluoro-4-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine
CID 59768400
N-[(2-cyclohexyloxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63056453
1-[4-cycloheptyloxy-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 82925757
4-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-2-methylbutan-2-ol
CID 107688569
N-[[3-fluoro-4-(3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 107688358

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclohexyloxy-3-fluorophenyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(4-cyclohexyloxy-3-fluorophenyl)methyl]-2-methylpropan-2-amine (CID 107688391) is N-[(4-cyclohexyloxy-3-fluorophenyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(4-cyclohexyloxy-3-fluorophenyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(4-cyclohexyloxy-3-fluorophenyl)methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ccc(OC2CCCCC2)c(F)c1.
What is the InChIKey of N-[(4-cyclohexyloxy-3-fluorophenyl)methyl]-2-methylpropan-2-amine?
The InChIKey is PZGSTWGWTIFYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-17(2,3)19-12-13-9-10-16(15(18)11-13)20-14-7-5-4-6-8-14/h9-11,14,19H,4-8,12H2,1-3H3.
What are the key properties of N-[(4-cyclohexyloxy-3-fluorophenyl)methyl]-2-methylpropan-2-amine?
N-[(4-cyclohexyloxy-3-fluorophenyl)methyl]-2-methylpropan-2-amine has a molecular weight of 279.40 g/mol, XLogP of 4.43, 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-fluorophenyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107688391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).