2-[(6-methylheptan-2-ylamino)methyl]phenol

C15H25NO — CID 43102859

IUPAC2-[(6-methylheptan-2-ylamino)methyl]phenol
SMILESCC(C)CCCC(C)NCc1ccccc1O
InChIInChI=1S/C15H25NO/c1-12(2)7-6-8-13(3)16-11-14-9-4-5-10-15(14)17/h4-5,9-10,12-13,16-17H,6-8,11H2,1-3H3
InChIKeyDHZMBWPCQJCSFY-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.70
Rot. Bonds7

About 2-[(6-methylheptan-2-ylamino)methyl]phenol

2-[(6-methylheptan-2-ylamino)methyl]phenol (PubChem CID 43102859) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-[(6-methylheptan-2-ylamino)methyl]phenol.

Molecular Properties

Compound Name2-[(6-methylheptan-2-ylamino)methyl]phenol
PubChem CID43102859
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-[(6-methylheptan-2-ylamino)methyl]phenol
SMILESCC(C)CCCC(C)NCc1ccccc1O
InChIInChI=1S/C15H25NO/c1-12(2)7-6-8-13(3)16-11-14-9-4-5-10-15(14)17/h4-5,9-10,12-13,16-17H,6-8,11H2,1-3H3
InChIKeyDHZMBWPCQJCSFY-UHFFFAOYSA-N
XLogP3.70
TPSA32.26 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 ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(4-methylpentylamino)methyl]phenol
CID 61044240
2-(3-hydroxy-7-methyloctyl)phenol
CID 173316016
(4R)-4-[(2-bromophenyl)methylamino]pentan-1-ol
CID 97051682
2-methyl-6-[(5-methylhexan-2-ylamino)methyl]phenol
CID 112553862
N-[(2,4-dimethylphenyl)methyl]-6-methylheptan-2-amine
CID 43080523
2-[(1-aminoethylamino)methyl]phenol
CID 67733562
2-[(1-cyclopropylpropan-2-ylamino)methyl]phenol
CID 63988689
2-[(5-methylhexan-2-ylamino)methyl]benzoic acid
CID 103252215
4-[(heptan-2-ylamino)methyl]benzene-1,3-diol
CID 43572707
2-[(1-phenylethylamino)methyl]phenol
CID 3669487
methyl 2-[(5-methylhexan-2-ylamino)methyl]benzoate
CID 43767169
N-[[2-[2-(methylamino)ethyl]phenyl]methyl]heptan-2-amine
CID 104546914

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methylheptan-2-ylamino)methyl]phenol?
The IUPAC name of 2-[(6-methylheptan-2-ylamino)methyl]phenol (CID 43102859) is 2-[(6-methylheptan-2-ylamino)methyl]phenol.
What is the SMILES notation for 2-[(6-methylheptan-2-ylamino)methyl]phenol?
The canonical SMILES for 2-[(6-methylheptan-2-ylamino)methyl]phenol is CC(C)CCCC(C)NCc1ccccc1O.
What is the InChIKey of 2-[(6-methylheptan-2-ylamino)methyl]phenol?
The InChIKey is DHZMBWPCQJCSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-12(2)7-6-8-13(3)16-11-14-9-4-5-10-15(14)17/h4-5,9-10,12-13,16-17H,6-8,11H2,1-3H3.
What are the key properties of 2-[(6-methylheptan-2-ylamino)methyl]phenol?
2-[(6-methylheptan-2-ylamino)methyl]phenol has a molecular weight of 235.37 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methylheptan-2-ylamino)methyl]phenol is sourced from PubChem (CID 43102859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).