4-[(nonadecylamino)methyl]phenol

C26H47NO — CID 70039599

IUPAC4-[(nonadecylamino)methyl]phenol
SMILESCCCCCCCCCCCCCCCCCCCNCc1ccc(O)cc1
InChIInChI=1S/C26H47NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-27-24-25-19-21-26(28)22-20-25/h19-22,27-28H,2-18,23-24H2,1H3
InChIKeyCMEYBTSNEFEUJJ-UHFFFAOYSA-N
MW389.67 g/mol
LogP8.13
Rot. Bonds20

About 4-[(nonadecylamino)methyl]phenol

4-[(nonadecylamino)methyl]phenol (PubChem CID 70039599) has the molecular formula C26H47NO and a molecular weight of 389.67 g/mol. Its IUPAC name is 4-[(nonadecylamino)methyl]phenol.

Molecular Properties

Compound Name4-[(nonadecylamino)methyl]phenol
PubChem CID70039599
Molecular FormulaC26H47NO
Molecular Weight389.67 g/mol
Exact Mass389.37
IUPAC Name4-[(nonadecylamino)methyl]phenol
SMILESCCCCCCCCCCCCCCCCCCCNCc1ccc(O)cc1
InChIInChI=1S/C26H47NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-27-24-25-19-21-26(28)22-20-25/h19-22,27-28H,2-18,23-24H2,1H3
InChIKeyCMEYBTSNEFEUJJ-UHFFFAOYSA-N
XLogP8.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.67
LogP ≤ 58.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[6-[(4-hydroxyphenyl)methylamino]hexylamino]methyl]phenol
CID 22756076
[4-[(nonylamino)methyl]phenyl]methanol
CID 107230873
4-[2-(pentylamino)ethyl]phenol
CID 61236551
N-[(4-methylphenyl)methyl]octan-1-amine;hydrochloride
CID 17331169
N-[(4-ethylphenyl)methyl]pentan-1-amine;hydrochloride
CID 17291031
4-[(4-nonylphenyl)methylamino]butan-1-ol
CID 70951495
4-[(heptadecylamino)methyl]benzenesulfonic acid
CID 23547340
N-benzyltridecan-1-amine;hydrochloride
CID 173249552
4-[(4-bromobutylamino)methyl]phenol
CID 106844801
1-hentriacontyl-3-[(4-hydroxyphenyl)methyl]urea
CID 139845203
1-[(4-hydroxyphenyl)methyl]-3-pentadecylurea
CID 19597068
N-docosyl-N'-[(4-hydroxyphenyl)methyl]oxamide
CID 19597122

Frequently Asked Questions

What is the IUPAC name of 4-[(nonadecylamino)methyl]phenol?
The IUPAC name of 4-[(nonadecylamino)methyl]phenol (CID 70039599) is 4-[(nonadecylamino)methyl]phenol.
What is the SMILES notation for 4-[(nonadecylamino)methyl]phenol?
The canonical SMILES for 4-[(nonadecylamino)methyl]phenol is CCCCCCCCCCCCCCCCCCCNCc1ccc(O)cc1.
What is the InChIKey of 4-[(nonadecylamino)methyl]phenol?
The InChIKey is CMEYBTSNEFEUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H47NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-27-24-25-19-21-26(28)22-20-25/h19-22,27-28H,2-18,23-24H2,1H3.
What are the key properties of 4-[(nonadecylamino)methyl]phenol?
4-[(nonadecylamino)methyl]phenol has a molecular weight of 389.67 g/mol, XLogP of 8.13, 20 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(nonadecylamino)methyl]phenol is sourced from PubChem (CID 70039599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).