4-[(4-nonylphenyl)methylamino]butan-1-ol

C20H35NO — CID 70951495

IUPAC4-[(4-nonylphenyl)methylamino]butan-1-ol
SMILESCCCCCCCCCc1ccc(CNCCCCO)cc1
InChIInChI=1S/C20H35NO/c1-2-3-4-5-6-7-8-11-19-12-14-20(15-13-19)18-21-16-9-10-17-22/h12-15,21-22H,2-11,16-18H2,1H3
InChIKeyKLXQTACRKGQDQB-UHFFFAOYSA-N
MW305.51 g/mol
LogP4.84
Rot. Bonds14

About 4-[(4-nonylphenyl)methylamino]butan-1-ol

4-[(4-nonylphenyl)methylamino]butan-1-ol (PubChem CID 70951495) has the molecular formula C20H35NO and a molecular weight of 305.51 g/mol. Its IUPAC name is 4-[(4-nonylphenyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name4-[(4-nonylphenyl)methylamino]butan-1-ol
PubChem CID70951495
Molecular FormulaC20H35NO
Molecular Weight305.51 g/mol
Exact Mass305.27
IUPAC Name4-[(4-nonylphenyl)methylamino]butan-1-ol
SMILESCCCCCCCCCc1ccc(CNCCCCO)cc1
InChIInChI=1S/C20H35NO/c1-2-3-4-5-6-7-8-11-19-12-14-20(15-13-19)18-21-16-9-10-17-22/h12-15,21-22H,2-11,16-18H2,1H3
InChIKeyKLXQTACRKGQDQB-UHFFFAOYSA-N
XLogP4.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.51
LogP ≤ 54.84
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

formaldehyde;methanol;N-[(4-nonylphenyl)methyl]butan-1-amine
CID 142267456
formaldehyde;N-[(4-heptylphenyl)methyl]butan-1-amine;methanol
CID 142267281
methanediol;4-[(4-undecylphenyl)methylamino]butanal
CID 142267639
[4-[(nonylamino)methyl]phenyl]methanol
CID 107230873
3-[(4-propylphenyl)methylamino]propan-1-ol
CID 94681283
N'-[(4-dodecylphenyl)methyl]ethane-1,2-diamine
CID 71329852
ethane;formaldehyde;methanol;N-[(4-nonylphenyl)methyl]butan-1-amine;propane
CID 142267356
4-[(nonadecylamino)methyl]phenol
CID 70039599
formaldehyde;methanol;N-[(4-nonylphenyl)methyl]butan-1-amine;propan-2-ol
CID 142267298
acetic acid;N'-[(4-dodecylphenyl)methyl]ethane-1,2-diamine
CID 71329851
formaldehyde;N-hexyl-4-[(4-hydroxybutylamino)methyl]-N-pentylbenzamide;methanol
CID 142267477
N-[(4-methylphenyl)methyl]octan-1-amine;hydrochloride
CID 17331169

Frequently Asked Questions

What is the IUPAC name of 4-[(4-nonylphenyl)methylamino]butan-1-ol?
The IUPAC name of 4-[(4-nonylphenyl)methylamino]butan-1-ol (CID 70951495) is 4-[(4-nonylphenyl)methylamino]butan-1-ol.
What is the SMILES notation for 4-[(4-nonylphenyl)methylamino]butan-1-ol?
The canonical SMILES for 4-[(4-nonylphenyl)methylamino]butan-1-ol is CCCCCCCCCc1ccc(CNCCCCO)cc1.
What is the InChIKey of 4-[(4-nonylphenyl)methylamino]butan-1-ol?
The InChIKey is KLXQTACRKGQDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO/c1-2-3-4-5-6-7-8-11-19-12-14-20(15-13-19)18-21-16-9-10-17-22/h12-15,21-22H,2-11,16-18H2,1H3.
What are the key properties of 4-[(4-nonylphenyl)methylamino]butan-1-ol?
4-[(4-nonylphenyl)methylamino]butan-1-ol has a molecular weight of 305.51 g/mol, XLogP of 4.84, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-nonylphenyl)methylamino]butan-1-ol is sourced from PubChem (CID 70951495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).