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

C18H29NO2 — CID 63056453

IUPACN-[(2-cyclohexyloxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine
SMILESCOc1ccc(CNC(C)(C)C)c(OC2CCCCC2)c1
InChIInChI=1S/C18H29NO2/c1-18(2,3)19-13-14-10-11-16(20-4)12-17(14)21-15-8-6-5-7-9-15/h10-12,15,19H,5-9,13H2,1-4H3
InChIKeyWMVQHJSGTCLISF-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.29
Rot. Bonds5

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

N-[(2-cyclohexyloxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine (PubChem CID 63056453) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[(2-cyclohexyloxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(2-cyclohexyloxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine
PubChem CID63056453
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[(2-cyclohexyloxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine
SMILESCOc1ccc(CNC(C)(C)C)c(OC2CCCCC2)c1
InChIInChI=1S/C18H29NO2/c1-18(2,3)19-13-14-10-11-16(20-4)12-17(14)21-15-8-6-5-7-9-15/h10-12,15,19H,5-9,13H2,1-4H3
InChIKeyWMVQHJSGTCLISF-UHFFFAOYSA-N
XLogP4.29
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-methylpyrazin-2-amine
CID 139004064
N-[(2,4-dimethoxyphenyl)methyl]cyclododecanamine;hydrochloride
CID 21435442
4-[(2-cyclopentyloxy-4-methoxyphenyl)methylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 119142062
2-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 139010596
N-[[4-methoxy-2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63058315
1-cyclopentyl-3-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-methylguanidine
CID 111963781
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]prop-2-enamide
CID 146107018
1-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119334428
N-[[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63056447
N-[(2-cyclopentyloxy-5-methoxyphenyl)methyl]cyclopropanamine
CID 43276489
N-cyclopentyloxy-1-(2,4-dimethoxyphenyl)methanamine
CID 83228718
2-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-phenylpropanamide
CID 120593283

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclohexyloxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(2-cyclohexyloxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine (CID 63056453) is N-[(2-cyclohexyloxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(2-cyclohexyloxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(2-cyclohexyloxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine is COc1ccc(CNC(C)(C)C)c(OC2CCCCC2)c1.
What is the InChIKey of N-[(2-cyclohexyloxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine?
The InChIKey is WMVQHJSGTCLISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-18(2,3)19-13-14-10-11-16(20-4)12-17(14)21-15-8-6-5-7-9-15/h10-12,15,19H,5-9,13H2,1-4H3.
What are the key properties of N-[(2-cyclohexyloxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine?
N-[(2-cyclohexyloxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine has a molecular weight of 291.44 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclohexyloxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63056453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).