[3-methyl-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine

C19H31NO — CID 114479302

IUPAC[3-methyl-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine
SMILESCc1cc(CN)ccc1COC1CC(C)CCC1C(C)C
InChIInChI=1S/C19H31NO/c1-13(2)18-8-5-14(3)9-19(18)21-12-17-7-6-16(11-20)10-15(17)4/h6-7,10,13-14,18-19H,5,8-9,11-12,20H2,1-4H3
InChIKeyQMIMCTBLTZQCSH-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.43
Rot. Bonds5

About [3-methyl-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine

[3-methyl-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine (PubChem CID 114479302) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is [3-methyl-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-methyl-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine
PubChem CID114479302
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name[3-methyl-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine
SMILESCc1cc(CN)ccc1COC1CC(C)CCC1C(C)C
InChIInChI=1S/C19H31NO/c1-13(2)18-8-5-14(3)9-19(18)21-12-17-7-6-16(11-20)10-15(17)4/h6-7,10,13-14,18-19H,5,8-9,11-12,20H2,1-4H3
InChIKeyQMIMCTBLTZQCSH-UHFFFAOYSA-N
XLogP4.43
TPSA35.25 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 ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-methyl-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine with MolForge

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Related Compounds

[3-chloro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine
CID 102663486
[4-fluoro-3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine
CID 43104736
[2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine
CID 43101222
[2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]furan-3-yl]methanamine
CID 62445744
2-[4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]ethanamine
CID 105349458
[4-[(2,6-dimethyloxan-4-yl)oxymethyl]-3-methylphenyl]methanamine
CID 114479437
2-bromo-1-fluoro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]benzene
CID 63458044
1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-4-nitrobenzene
CID 10661260
2-chloro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]pyridine
CID 55195389
3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]pyridine-2-carbothioamide
CID 62895472
3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]benzoic acid
CID 43099520
2-methyl-5-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]furan-3-carboxylic acid
CID 43477221

Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine?
The IUPAC name of [3-methyl-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine (CID 114479302) is [3-methyl-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine.
What is the SMILES notation for [3-methyl-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine?
The canonical SMILES for [3-methyl-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine is Cc1cc(CN)ccc1COC1CC(C)CCC1C(C)C.
What is the InChIKey of [3-methyl-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine?
The InChIKey is QMIMCTBLTZQCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-13(2)18-8-5-14(3)9-19(18)21-12-17-7-6-16(11-20)10-15(17)4/h6-7,10,13-14,18-19H,5,8-9,11-12,20H2,1-4H3.
What are the key properties of [3-methyl-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine?
[3-methyl-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine has a molecular weight of 289.46 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine is sourced from PubChem (CID 114479302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).