2-[(4-methylpentylamino)methyl]phenol

C13H21NO — CID 61044240

IUPAC2-[(4-methylpentylamino)methyl]phenol
SMILESCC(C)CCCNCc1ccccc1O
InChIInChI=1S/C13H21NO/c1-11(2)6-5-9-14-10-12-7-3-4-8-13(12)15/h3-4,7-8,11,14-15H,5-6,9-10H2,1-2H3
InChIKeyLGTCIHYHXPHUGK-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.92
Rot. Bonds6

About 2-[(4-methylpentylamino)methyl]phenol

2-[(4-methylpentylamino)methyl]phenol (PubChem CID 61044240) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-[(4-methylpentylamino)methyl]phenol.

Molecular Properties

Compound Name2-[(4-methylpentylamino)methyl]phenol
PubChem CID61044240
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-[(4-methylpentylamino)methyl]phenol
SMILESCC(C)CCCNCc1ccccc1O
InChIInChI=1S/C13H21NO/c1-11(2)6-5-9-14-10-12-7-3-4-8-13(12)15/h3-4,7-8,11,14-15H,5-6,9-10H2,1-2H3
InChIKeyLGTCIHYHXPHUGK-UHFFFAOYSA-N
XLogP2.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-2-[(4-methylpentylamino)methyl]phenol
CID 103948054
N-[(2-ethylphenyl)methyl]-5-methylhexan-1-amine
CID 113287301
5-methoxy-2-[(4-methylpentylamino)methyl]phenol
CID 61263266
N-[(2-ethylphenyl)methyl]-7-methyloctan-1-amine
CID 63421085
7-methyl-N-[(2-methylphenyl)methyl]octan-1-amine
CID 28527730
2-[(6-methylheptan-2-ylamino)methyl]phenol
CID 43102859
7-methyl-N-(naphthalen-1-ylmethyl)octan-1-amine
CID 28528182
2-[(3-fluoropropylamino)methyl]phenol
CID 115733014
5-[(2-ethylphenyl)methylamino]pentan-2-ol
CID 106122637
2-[(6-hydroxyhexylamino)methyl]phenol
CID 82678109
2-[(2-propan-2-yloxyethylamino)methyl]phenol
CID 104588313
5-(naphthalen-1-ylmethylamino)pentan-2-ol
CID 107267647

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylpentylamino)methyl]phenol?
The IUPAC name of 2-[(4-methylpentylamino)methyl]phenol (CID 61044240) is 2-[(4-methylpentylamino)methyl]phenol.
What is the SMILES notation for 2-[(4-methylpentylamino)methyl]phenol?
The canonical SMILES for 2-[(4-methylpentylamino)methyl]phenol is CC(C)CCCNCc1ccccc1O.
What is the InChIKey of 2-[(4-methylpentylamino)methyl]phenol?
The InChIKey is LGTCIHYHXPHUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-11(2)6-5-9-14-10-12-7-3-4-8-13(12)15/h3-4,7-8,11,14-15H,5-6,9-10H2,1-2H3.
What are the key properties of 2-[(4-methylpentylamino)methyl]phenol?
2-[(4-methylpentylamino)methyl]phenol has a molecular weight of 207.32 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylpentylamino)methyl]phenol is sourced from PubChem (CID 61044240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).