4-[[3-(2-methylphenyl)cyclobutyl]amino]butan-1-ol

C15H23NO — CID 106841126

IUPAC4-[[3-(2-methylphenyl)cyclobutyl]amino]butan-1-ol
SMILESCc1ccccc1C1CC(NCCCCO)C1
InChIInChI=1S/C15H23NO/c1-12-6-2-3-7-15(12)13-10-14(11-13)16-8-4-5-9-17/h2-3,6-7,13-14,16-17H,4-5,8-11H2,1H3
InChIKeyTWOWRMKXAMTHSV-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.60
Rot. Bonds6

About 4-[[3-(2-methylphenyl)cyclobutyl]amino]butan-1-ol

4-[[3-(2-methylphenyl)cyclobutyl]amino]butan-1-ol (PubChem CID 106841126) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 4-[[3-(2-methylphenyl)cyclobutyl]amino]butan-1-ol.

Molecular Properties

Compound Name4-[[3-(2-methylphenyl)cyclobutyl]amino]butan-1-ol
PubChem CID106841126
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name4-[[3-(2-methylphenyl)cyclobutyl]amino]butan-1-ol
SMILESCc1ccccc1C1CC(NCCCCO)C1
InChIInChI=1S/C15H23NO/c1-12-6-2-3-7-15(12)13-10-14(11-13)16-8-4-5-9-17/h2-3,6-7,13-14,16-17H,4-5,8-11H2,1H3
InChIKeyTWOWRMKXAMTHSV-UHFFFAOYSA-N
XLogP2.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.60
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

N'-[3-(2-methylphenyl)cyclobutyl]butane-1,4-diamine
CID 60896174
N-(4-methylpentyl)-3-(2-methylphenyl)cyclobutan-1-amine
CID 54914303
N-(3-methoxypropyl)-3-(2-methylphenyl)cyclobutan-1-amine
CID 43634549
6-[[3-(2-bromophenyl)cyclobutyl]amino]hexan-1-ol
CID 107849622
N-[2-[[3-(2-methylphenyl)cyclobutyl]amino]ethyl]acetamide
CID 43634648
3-(2-methylphenyl)-N-(3-propoxypropyl)cyclobutan-1-amine
CID 82941727
5-[(3-phenylcyclobutyl)amino]pentan-1-ol
CID 107303071
N-[3-(2-methoxyethoxy)propyl]-3-(2-methylphenyl)cyclobutan-1-amine
CID 43634729
N-methyl-3-(2-methylphenyl)cyclobutan-1-amine
CID 43632423
3-(2-methylphenyl)-N-prop-2-enylcyclobutan-1-amine
CID 43632528
N-[2-[2-(dimethylamino)ethoxy]ethyl]-3-(2-methylphenyl)cyclobutan-1-amine
CID 107094222
N-(2-methoxy-2-methylpropyl)-3-(2-methylphenyl)cyclobutan-1-amine
CID 113384097

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-methylphenyl)cyclobutyl]amino]butan-1-ol?
The IUPAC name of 4-[[3-(2-methylphenyl)cyclobutyl]amino]butan-1-ol (CID 106841126) is 4-[[3-(2-methylphenyl)cyclobutyl]amino]butan-1-ol.
What is the SMILES notation for 4-[[3-(2-methylphenyl)cyclobutyl]amino]butan-1-ol?
The canonical SMILES for 4-[[3-(2-methylphenyl)cyclobutyl]amino]butan-1-ol is Cc1ccccc1C1CC(NCCCCO)C1.
What is the InChIKey of 4-[[3-(2-methylphenyl)cyclobutyl]amino]butan-1-ol?
The InChIKey is TWOWRMKXAMTHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12-6-2-3-7-15(12)13-10-14(11-13)16-8-4-5-9-17/h2-3,6-7,13-14,16-17H,4-5,8-11H2,1H3.
What are the key properties of 4-[[3-(2-methylphenyl)cyclobutyl]amino]butan-1-ol?
4-[[3-(2-methylphenyl)cyclobutyl]amino]butan-1-ol has a molecular weight of 233.35 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-methylphenyl)cyclobutyl]amino]butan-1-ol is sourced from PubChem (CID 106841126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).