4-(aminomethyl)-5-methyl-1-(3-methylphenyl)hexan-3-ol

C15H25NO — CID 65185744

IUPAC4-(aminomethyl)-5-methyl-1-(3-methylphenyl)hexan-3-ol
SMILESCc1cccc(CCC(O)C(CN)C(C)C)c1
InChIInChI=1S/C15H25NO/c1-11(2)14(10-16)15(17)8-7-13-6-4-5-12(3)9-13/h4-6,9,11,14-15,17H,7-8,10,16H2,1-3H3
InChIKeyHOJWSSSXWVIXLD-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.52
Rot. Bonds6

About 4-(aminomethyl)-5-methyl-1-(3-methylphenyl)hexan-3-ol

4-(aminomethyl)-5-methyl-1-(3-methylphenyl)hexan-3-ol (PubChem CID 65185744) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-(aminomethyl)-5-methyl-1-(3-methylphenyl)hexan-3-ol.

Molecular Properties

Compound Name4-(aminomethyl)-5-methyl-1-(3-methylphenyl)hexan-3-ol
PubChem CID65185744
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4-(aminomethyl)-5-methyl-1-(3-methylphenyl)hexan-3-ol
SMILESCc1cccc(CCC(O)C(CN)C(C)C)c1
InChIInChI=1S/C15H25NO/c1-11(2)14(10-16)15(17)8-7-13-6-4-5-12(3)9-13/h4-6,9,11,14-15,17H,7-8,10,16H2,1-3H3
InChIKeyHOJWSSSXWVIXLD-UHFFFAOYSA-N
XLogP2.52
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-4-(3-methylphenyl)butan-2-ol
CID 66581739
1-amino-5-(3-methylphenyl)-2-thiophen-2-ylpentan-3-ol
CID 65190297
5-(aminomethyl)-6-methyl-1-phenylheptan-4-ol
CID 65185188
ethane;methanol;1-methyl-3-(3-methylbutyl)benzene
CID 144705800
1,3-bis(3-methylphenyl)propan-1-ol
CID 105077889
4-(3-methylphenyl)-1-phenylbutan-2-ol
CID 63016612
6-(3-methylphenyl)hexan-3-ol
CID 64513249
2-methyl-4-(3-methylphenyl)butanoic acid
CID 79002257
1,4-bis(3-methylphenyl)butan-2-amine
CID 62390102
1-[3,4-dimethyl-6-(3-methylphenyl)hexyl]-4-methylbenzene
CID 155693186
5-(3-methylphenyl)pentan-2-amine
CID 64502928
1-(3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 116945810

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5-methyl-1-(3-methylphenyl)hexan-3-ol?
The IUPAC name of 4-(aminomethyl)-5-methyl-1-(3-methylphenyl)hexan-3-ol (CID 65185744) is 4-(aminomethyl)-5-methyl-1-(3-methylphenyl)hexan-3-ol.
What is the SMILES notation for 4-(aminomethyl)-5-methyl-1-(3-methylphenyl)hexan-3-ol?
The canonical SMILES for 4-(aminomethyl)-5-methyl-1-(3-methylphenyl)hexan-3-ol is Cc1cccc(CCC(O)C(CN)C(C)C)c1.
What is the InChIKey of 4-(aminomethyl)-5-methyl-1-(3-methylphenyl)hexan-3-ol?
The InChIKey is HOJWSSSXWVIXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-11(2)14(10-16)15(17)8-7-13-6-4-5-12(3)9-13/h4-6,9,11,14-15,17H,7-8,10,16H2,1-3H3.
What are the key properties of 4-(aminomethyl)-5-methyl-1-(3-methylphenyl)hexan-3-ol?
4-(aminomethyl)-5-methyl-1-(3-methylphenyl)hexan-3-ol has a molecular weight of 235.37 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-5-methyl-1-(3-methylphenyl)hexan-3-ol is sourced from PubChem (CID 65185744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).