5-(aminomethyl)-6-methyl-1-phenylheptan-4-ol

C15H25NO — CID 65185188

IUPAC5-(aminomethyl)-6-methyl-1-phenylheptan-4-ol
SMILESCC(C)C(CN)C(O)CCCc1ccccc1
InChIInChI=1S/C15H25NO/c1-12(2)14(11-16)15(17)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12,14-15,17H,6,9-11,16H2,1-2H3
InChIKeyIBKCEXOFVLLLET-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.60
Rot. Bonds7

About 5-(aminomethyl)-6-methyl-1-phenylheptan-4-ol

5-(aminomethyl)-6-methyl-1-phenylheptan-4-ol (PubChem CID 65185188) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 5-(aminomethyl)-6-methyl-1-phenylheptan-4-ol.

Molecular Properties

Compound Name5-(aminomethyl)-6-methyl-1-phenylheptan-4-ol
PubChem CID65185188
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name5-(aminomethyl)-6-methyl-1-phenylheptan-4-ol
SMILESCC(C)C(CN)C(O)CCCc1ccccc1
InChIInChI=1S/C15H25NO/c1-12(2)14(11-16)15(17)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12,14-15,17H,6,9-11,16H2,1-2H3
InChIKeyIBKCEXOFVLLLET-UHFFFAOYSA-N
XLogP2.60
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-phenyl-3-propan-2-ylhexan-2-ol
CID 62914612
2-methyl-7-phenylheptane-3,4-diol
CID 103456597
2-methyl-7-phenylheptan-3-ol
CID 10976646
6-phenyl-3-propan-2-ylhexan-2-amine
CID 62915093
4-(aminomethyl)-5-methyl-1-(3-methylphenyl)hexan-3-ol
CID 65185744
3-methyl-6-phenylhexan-2-ol
CID 54498182
1-amino-2-(2-chlorophenyl)-6-phenylhexan-3-ol
CID 65184766
4-(aminomethyl)-1-phenylhexan-3-ol
CID 65187755
1-amino-6-phenyl-2-pyridin-2-ylhexan-3-ol
CID 80527008
4-methyl-7-phenylheptan-2-ol
CID 64718783
3-methyl-6-phenylhexan-2-one
CID 59396975
(3R)-6-phenyl-3-propan-2-ylhex-1-en-2-amine
CID 146244577

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-6-methyl-1-phenylheptan-4-ol?
The IUPAC name of 5-(aminomethyl)-6-methyl-1-phenylheptan-4-ol (CID 65185188) is 5-(aminomethyl)-6-methyl-1-phenylheptan-4-ol.
What is the SMILES notation for 5-(aminomethyl)-6-methyl-1-phenylheptan-4-ol?
The canonical SMILES for 5-(aminomethyl)-6-methyl-1-phenylheptan-4-ol is CC(C)C(CN)C(O)CCCc1ccccc1.
What is the InChIKey of 5-(aminomethyl)-6-methyl-1-phenylheptan-4-ol?
The InChIKey is IBKCEXOFVLLLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-12(2)14(11-16)15(17)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12,14-15,17H,6,9-11,16H2,1-2H3.
What are the key properties of 5-(aminomethyl)-6-methyl-1-phenylheptan-4-ol?
5-(aminomethyl)-6-methyl-1-phenylheptan-4-ol has a molecular weight of 235.37 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-6-methyl-1-phenylheptan-4-ol is sourced from PubChem (CID 65185188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).