3-[[4-[[(2,5-dimethylphenyl)methylamino]methyl]cyclohexyl]methylamino]propan-1-ol

C20H34N2O — CID 59549336

IUPAC3-[[4-[[(2,5-dimethylphenyl)methylamino]methyl]cyclohexyl]methylamino]propan-1-ol
SMILESCc1ccc(C)c(CNCC2CCC(CNCCCO)CC2)c1
InChIInChI=1S/C20H34N2O/c1-16-4-5-17(2)20(12-16)15-22-14-19-8-6-18(7-9-19)13-21-10-3-11-23/h4-5,12,18-19,21-23H,3,6-11,13-15H2,1-2H3
InChIKeyDHWNKOIHMAQXHQ-UHFFFAOYSA-N
MW318.50 g/mol
LogP3.17
Rot. Bonds9

About 3-[[4-[[(2,5-dimethylphenyl)methylamino]methyl]cyclohexyl]methylamino]propan-1-ol

3-[[4-[[(2,5-dimethylphenyl)methylamino]methyl]cyclohexyl]methylamino]propan-1-ol (PubChem CID 59549336) has the molecular formula C20H34N2O and a molecular weight of 318.50 g/mol. Its IUPAC name is 3-[[4-[[(2,5-dimethylphenyl)methylamino]methyl]cyclohexyl]methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[4-[[(2,5-dimethylphenyl)methylamino]methyl]cyclohexyl]methylamino]propan-1-ol
PubChem CID59549336
Molecular FormulaC20H34N2O
Molecular Weight318.50 g/mol
Exact Mass318.27
IUPAC Name3-[[4-[[(2,5-dimethylphenyl)methylamino]methyl]cyclohexyl]methylamino]propan-1-ol
SMILESCc1ccc(C)c(CNCC2CCC(CNCCCO)CC2)c1
InChIInChI=1S/C20H34N2O/c1-16-4-5-17(2)20(12-16)15-22-14-19-8-6-18(7-9-19)13-21-10-3-11-23/h4-5,12,18-19,21-23H,3,6-11,13-15H2,1-2H3
InChIKeyDHWNKOIHMAQXHQ-UHFFFAOYSA-N
XLogP3.17
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.50
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[[4-[[(2,5-dimethylphenyl)methylamino]methyl]cyclohexyl]methylamino]propan-1-ol with MolForge

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Related Compounds

4-[[(2,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-amine
CID 115213416
N-(cyclopropylmethyl)-2-(2,5-dimethylphenyl)ethanamine
CID 62538182
3-[(2-fluoro-5-methylphenyl)methylamino]propan-1-ol
CID 115632162
2-[[[4-(aminomethyl)cyclohexyl]methylamino]methyl]-5-methylphenol
CID 71213393
4-[2-(2,5-dimethylphenyl)ethylamino]butan-1-ol
CID 115217740
4-[[(2-methoxy-5-methylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 106126443
1-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]methanamine
CID 43434536
1-(2-bicyclo[2.2.1]heptanyl)-N-[(2,5-dimethylphenyl)methyl]methanamine
CID 63689969
4-chloro-N-[(2,5-dimethylphenyl)methyl]butan-1-amine
CID 106844225
3-[(4-methylcyclohexyl)methylamino]propan-1-ol
CID 63243568
N-[(2,5-dimethylphenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 63899121
3-(cyclopropylmethoxy)-N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 113237530

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[[(2,5-dimethylphenyl)methylamino]methyl]cyclohexyl]methylamino]propan-1-ol?
The IUPAC name of 3-[[4-[[(2,5-dimethylphenyl)methylamino]methyl]cyclohexyl]methylamino]propan-1-ol (CID 59549336) is 3-[[4-[[(2,5-dimethylphenyl)methylamino]methyl]cyclohexyl]methylamino]propan-1-ol.
What is the SMILES notation for 3-[[4-[[(2,5-dimethylphenyl)methylamino]methyl]cyclohexyl]methylamino]propan-1-ol?
The canonical SMILES for 3-[[4-[[(2,5-dimethylphenyl)methylamino]methyl]cyclohexyl]methylamino]propan-1-ol is Cc1ccc(C)c(CNCC2CCC(CNCCCO)CC2)c1.
What is the InChIKey of 3-[[4-[[(2,5-dimethylphenyl)methylamino]methyl]cyclohexyl]methylamino]propan-1-ol?
The InChIKey is DHWNKOIHMAQXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O/c1-16-4-5-17(2)20(12-16)15-22-14-19-8-6-18(7-9-19)13-21-10-3-11-23/h4-5,12,18-19,21-23H,3,6-11,13-15H2,1-2H3.
What are the key properties of 3-[[4-[[(2,5-dimethylphenyl)methylamino]methyl]cyclohexyl]methylamino]propan-1-ol?
3-[[4-[[(2,5-dimethylphenyl)methylamino]methyl]cyclohexyl]methylamino]propan-1-ol has a molecular weight of 318.50 g/mol, XLogP of 3.17, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[[(2,5-dimethylphenyl)methylamino]methyl]cyclohexyl]methylamino]propan-1-ol is sourced from PubChem (CID 59549336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).