1-(4-methylcyclohexyl)-N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]methanamine

C19H31NO — CID 142230201

IUPAC1-(4-methylcyclohexyl)-N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]methanamine
SMILESCC1CCC(CNCc2ccc(OC(C)(C)C)cc2)CC1
InChIInChI=1S/C19H31NO/c1-15-5-7-16(8-6-15)13-20-14-17-9-11-18(12-10-17)21-19(2,3)4/h9-12,15-16,20H,5-8,13-14H2,1-4H3
InChIKeyRAVQKNCPMXRJTO-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.78
Rot. Bonds5

About 1-(4-methylcyclohexyl)-N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]methanamine

1-(4-methylcyclohexyl)-N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]methanamine (PubChem CID 142230201) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)-N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)-N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]methanamine
PubChem CID142230201
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name1-(4-methylcyclohexyl)-N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]methanamine
SMILESCC1CCC(CNCc2ccc(OC(C)(C)C)cc2)CC1
InChIInChI=1S/C19H31NO/c1-15-5-7-16(8-6-15)13-20-14-17-9-11-18(12-10-17)21-19(2,3)4/h9-12,15-16,20H,5-8,13-14H2,1-4H3
InChIKeyRAVQKNCPMXRJTO-UHFFFAOYSA-N
XLogP4.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-methylcyclohexyl)-N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]methanamine with MolForge

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Related Compounds

methyl 4-[[(4-methylcyclohexyl)methylamino]methyl]benzoate
CID 63243065
1-cyclobutyl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
CID 43298477
N-[[4-(difluoromethoxy)phenyl]methyl]-1-(3-methylcyclopentyl)methanamine
CID 107412126
4-[[(4-methoxyphenyl)methylamino]methyl]cyclohexan-1-amine
CID 115213420
N-[(4-tert-butylphenyl)methyl]-1-cyclopentylmethanamine
CID 43317309
[4-[(cyclopropylmethylamino)methyl]phenyl]methanol
CID 83962663
1-(2-methylcyclohexyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
CID 63453620
N-[(4-bromo-3-chlorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 114076532
N-[(4-bromo-3-fluorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 81436280
1-(4-ethylcyclohexyl)-N-[(4-ethylphenyl)methyl]methanamine
CID 63451562
N-[(1-ethylpyrrol-3-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 66414021
1-cyclohex-3-en-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
CID 60707293

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)-N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]methanamine?
The IUPAC name of 1-(4-methylcyclohexyl)-N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]methanamine (CID 142230201) is 1-(4-methylcyclohexyl)-N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]methanamine.
What is the SMILES notation for 1-(4-methylcyclohexyl)-N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]methanamine?
The canonical SMILES for 1-(4-methylcyclohexyl)-N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]methanamine is CC1CCC(CNCc2ccc(OC(C)(C)C)cc2)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)-N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]methanamine?
The InChIKey is RAVQKNCPMXRJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-15-5-7-16(8-6-15)13-20-14-17-9-11-18(12-10-17)21-19(2,3)4/h9-12,15-16,20H,5-8,13-14H2,1-4H3.
What are the key properties of 1-(4-methylcyclohexyl)-N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]methanamine?
1-(4-methylcyclohexyl)-N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]methanamine has a molecular weight of 289.46 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)-N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]methanamine is sourced from PubChem (CID 142230201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).