2-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-4-propylcyclohexan-1-ol

C19H31NO — CID 63490128

IUPAC2-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(CN(C)Cc2cccc(C)c2)C1
InChIInChI=1S/C19H31NO/c1-4-6-16-9-10-19(21)18(12-16)14-20(3)13-17-8-5-7-15(2)11-17/h5,7-8,11,16,18-19,21H,4,6,9-10,12-14H2,1-3H3
InChIKeyQOLBUMXINCLYMN-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.00
Rot. Bonds6

About 2-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-4-propylcyclohexan-1-ol

2-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-4-propylcyclohexan-1-ol (PubChem CID 63490128) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-4-propylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-4-propylcyclohexan-1-ol
PubChem CID63490128
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(CN(C)Cc2cccc(C)c2)C1
InChIInChI=1S/C19H31NO/c1-4-6-16-9-10-19(21)18(12-16)14-20(3)13-17-8-5-7-15(2)11-17/h5,7-8,11,16,18-19,21H,4,6,9-10,12-14H2,1-3H3
InChIKeyQOLBUMXINCLYMN-UHFFFAOYSA-N
XLogP4.00
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[furan-2-ylmethyl(methyl)amino]methyl]-4-propylcyclohexan-1-ol
CID 62608837
2-[[(2-fluorophenyl)methyl-methylamino]methyl]-4-propylcyclohexan-1-ol
CID 62610633
2-[(3-fluoro-N-methylanilino)methyl]-4-propylcyclohexan-1-ol
CID 63489444
2-[(N,2-dimethylanilino)methyl]-4-propylcyclohexan-1-ol
CID 63487718
4-ethyl-2-[[(4-fluorophenyl)methyl-methylamino]methyl]cyclohexan-1-ol
CID 62609412
2-[(4-fluoro-N-methylanilino)methyl]-4-propylcyclohexan-1-ol
CID 63488559
N-methyl-2-[[methyl-[(3-methylphenyl)methyl]amino]methyl]cyclopentan-1-amine
CID 62610042
N-(cyclopropylmethyl)-N'-methyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 55070888
2-[(N-ethyl-2-methylanilino)methyl]-4-propylcyclohexan-1-ol
CID 63495843
N-ethyl-3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]oxan-4-amine
CID 103059842
2-(3-methylphenyl)-1-(4-propylcyclohexyl)ethanone
CID 65424823
2-[[cyclopropylmethyl(propyl)amino]methyl]-4-propylcyclohexan-1-ol
CID 62609053

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-4-propylcyclohexan-1-ol?
The IUPAC name of 2-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-4-propylcyclohexan-1-ol (CID 63490128) is 2-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-4-propylcyclohexan-1-ol.
What is the SMILES notation for 2-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-4-propylcyclohexan-1-ol?
The canonical SMILES for 2-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-4-propylcyclohexan-1-ol is CCCC1CCC(O)C(CN(C)Cc2cccc(C)c2)C1.
What is the InChIKey of 2-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-4-propylcyclohexan-1-ol?
The InChIKey is QOLBUMXINCLYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-4-6-16-9-10-19(21)18(12-16)14-20(3)13-17-8-5-7-15(2)11-17/h5,7-8,11,16,18-19,21H,4,6,9-10,12-14H2,1-3H3.
What are the key properties of 2-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-4-propylcyclohexan-1-ol?
2-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-4-propylcyclohexan-1-ol has a molecular weight of 289.46 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-4-propylcyclohexan-1-ol is sourced from PubChem (CID 63490128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).