3-[[(4-methylphenyl)methylamino]methyl]hexan-1-ol

C15H25NO — CID 103707783

IUPAC3-[[(4-methylphenyl)methylamino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNCc1ccc(C)cc1
InChIInChI=1S/C15H25NO/c1-3-4-14(9-10-17)11-16-12-15-7-5-13(2)6-8-15/h5-8,14,16-17H,3-4,9-12H2,1-2H3
InChIKeyBLDSTRXBQLISBK-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.88
Rot. Bonds8

About 3-[[(4-methylphenyl)methylamino]methyl]hexan-1-ol

3-[[(4-methylphenyl)methylamino]methyl]hexan-1-ol (PubChem CID 103707783) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-[[(4-methylphenyl)methylamino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[(4-methylphenyl)methylamino]methyl]hexan-1-ol
PubChem CID103707783
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name3-[[(4-methylphenyl)methylamino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNCc1ccc(C)cc1
InChIInChI=1S/C15H25NO/c1-3-4-14(9-10-17)11-16-12-15-7-5-13(2)6-8-15/h5-8,14,16-17H,3-4,9-12H2,1-2H3
InChIKeyBLDSTRXBQLISBK-UHFFFAOYSA-N
XLogP2.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(4-bromophenyl)methylamino]methyl]hexan-1-ol
CID 111470613
3-[(pyridin-4-ylmethylamino)methyl]hexan-1-ol
CID 111470632
3-[[(2,5-dimethylphenyl)methylamino]methyl]hexan-1-ol
CID 103707961
3-[[(5-methyl-2-pyridinyl)methylamino]methyl]hexan-1-ol
CID 103768725
3-[(naphthalen-2-ylmethylamino)methyl]hexan-1-ol
CID 103707936
3-[(thiophen-3-ylmethylamino)methyl]hexan-1-ol
CID 115660386
2-bromo-4-[[2-(2-hydroxyethyl)pentylamino]methyl]phenol
CID 114145275
3-[[[4-(difluoromethyl)phenyl]methylamino]methyl]pentan-1-ol
CID 113328387
3-[[(1-propan-2-ylpyrazol-4-yl)methylamino]methyl]hexan-1-ol
CID 103707888
4-[[2-(2-hydroxyethyl)pentylamino]methyl]benzene-1,2,3-triol
CID 103953592
3-[[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]methyl]hexan-1-ol
CID 106114459
N-[2-(2-hydroxyethyl)pentyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 103725615

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-methylphenyl)methylamino]methyl]hexan-1-ol?
The IUPAC name of 3-[[(4-methylphenyl)methylamino]methyl]hexan-1-ol (CID 103707783) is 3-[[(4-methylphenyl)methylamino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[(4-methylphenyl)methylamino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[(4-methylphenyl)methylamino]methyl]hexan-1-ol is CCCC(CCO)CNCc1ccc(C)cc1.
What is the InChIKey of 3-[[(4-methylphenyl)methylamino]methyl]hexan-1-ol?
The InChIKey is BLDSTRXBQLISBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-3-4-14(9-10-17)11-16-12-15-7-5-13(2)6-8-15/h5-8,14,16-17H,3-4,9-12H2,1-2H3.
What are the key properties of 3-[[(4-methylphenyl)methylamino]methyl]hexan-1-ol?
3-[[(4-methylphenyl)methylamino]methyl]hexan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-methylphenyl)methylamino]methyl]hexan-1-ol is sourced from PubChem (CID 103707783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).