3-(3-methylphenyl)-N-(3-propan-2-yloxypropyl)cyclobutan-1-amine

C17H27NO — CID 43634799

IUPAC3-(3-methylphenyl)-N-(3-propan-2-yloxypropyl)cyclobutan-1-amine
SMILESCc1cccc(C2CC(NCCCOC(C)C)C2)c1
InChIInChI=1S/C17H27NO/c1-13(2)19-9-5-8-18-17-11-16(12-17)15-7-4-6-14(3)10-15/h4,6-7,10,13,16-18H,5,8-9,11-12H2,1-3H3
InChIKeySXTRSQJILQMYSR-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.65
Rot. Bonds7

About 3-(3-methylphenyl)-N-(3-propan-2-yloxypropyl)cyclobutan-1-amine

3-(3-methylphenyl)-N-(3-propan-2-yloxypropyl)cyclobutan-1-amine (PubChem CID 43634799) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-(3-methylphenyl)-N-(3-propan-2-yloxypropyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-methylphenyl)-N-(3-propan-2-yloxypropyl)cyclobutan-1-amine
PubChem CID43634799
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name3-(3-methylphenyl)-N-(3-propan-2-yloxypropyl)cyclobutan-1-amine
SMILESCc1cccc(C2CC(NCCCOC(C)C)C2)c1
InChIInChI=1S/C17H27NO/c1-13(2)19-9-5-8-18-17-11-16(12-17)15-7-4-6-14(3)10-15/h4,6-7,10,13,16-18H,5,8-9,11-12H2,1-3H3
InChIKeySXTRSQJILQMYSR-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methylphenyl)-N-(4-propan-2-yloxybutyl)cyclobutan-1-amine
CID 104530614
3-(3-bromophenyl)-N-(3-propan-2-yloxypropyl)cyclobutan-1-amine
CID 43634794
N-(5-methoxypentyl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 104530006
3-(3-methylphenyl)-N-(2-methylpropyl)cyclobutan-1-amine
CID 43632690
3-(3-methylphenyl)-N-(5,5,5-trifluoropentyl)cyclobutan-1-amine
CID 115517006
N-ethyl-3-(3-methylphenyl)cyclobutan-1-amine
CID 43632481
N-(2,2-diethoxyethyl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 79548122
N',N'-diethyl-N-[3-(3-methylphenyl)cyclobutyl]ethane-1,2-diamine
CID 43633398
3-(3-methylphenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
CID 43634409
N-(2,3-dimethoxypropyl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 104530609
3-(3-methylphenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclobutan-1-amine
CID 64518980
N-butan-2-yl-3-[[3-(3-methylphenyl)cyclobutyl]amino]propanamide
CID 61021464

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-N-(3-propan-2-yloxypropyl)cyclobutan-1-amine?
The IUPAC name of 3-(3-methylphenyl)-N-(3-propan-2-yloxypropyl)cyclobutan-1-amine (CID 43634799) is 3-(3-methylphenyl)-N-(3-propan-2-yloxypropyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(3-methylphenyl)-N-(3-propan-2-yloxypropyl)cyclobutan-1-amine?
The canonical SMILES for 3-(3-methylphenyl)-N-(3-propan-2-yloxypropyl)cyclobutan-1-amine is Cc1cccc(C2CC(NCCCOC(C)C)C2)c1.
What is the InChIKey of 3-(3-methylphenyl)-N-(3-propan-2-yloxypropyl)cyclobutan-1-amine?
The InChIKey is SXTRSQJILQMYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13(2)19-9-5-8-18-17-11-16(12-17)15-7-4-6-14(3)10-15/h4,6-7,10,13,16-18H,5,8-9,11-12H2,1-3H3.
What are the key properties of 3-(3-methylphenyl)-N-(3-propan-2-yloxypropyl)cyclobutan-1-amine?
3-(3-methylphenyl)-N-(3-propan-2-yloxypropyl)cyclobutan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-N-(3-propan-2-yloxypropyl)cyclobutan-1-amine is sourced from PubChem (CID 43634799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).