N-[1-(cyclohepten-1-yl)-2-phenoxyethyl]propan-1-amine

C18H27NO — CID 106652812

IUPACN-[1-(cyclohepten-1-yl)-2-phenoxyethyl]propan-1-amine
SMILESCCCNC(COc1ccccc1)C1=CCCCCC1
InChIInChI=1S/C18H27NO/c1-2-14-19-18(16-10-6-3-4-7-11-16)15-20-17-12-8-5-9-13-17/h5,8-10,12-13,18-19H,2-4,6-7,11,14-15H2,1H3
InChIKeyHYEHGUOASLTDDF-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.32
Rot. Bonds7

About N-[1-(cyclohepten-1-yl)-2-phenoxyethyl]propan-1-amine

N-[1-(cyclohepten-1-yl)-2-phenoxyethyl]propan-1-amine (PubChem CID 106652812) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[1-(cyclohepten-1-yl)-2-phenoxyethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(cyclohepten-1-yl)-2-phenoxyethyl]propan-1-amine
PubChem CID106652812
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-[1-(cyclohepten-1-yl)-2-phenoxyethyl]propan-1-amine
SMILESCCCNC(COc1ccccc1)C1=CCCCCC1
InChIInChI=1S/C18H27NO/c1-2-14-19-18(16-10-6-3-4-7-11-16)15-20-17-12-8-5-9-13-17/h5,8-10,12-13,18-19H,2-4,6-7,11,14-15H2,1H3
InChIKeyHYEHGUOASLTDDF-UHFFFAOYSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(cyclohepten-1-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine
CID 106654416
N-[1-(cyclohepten-1-yl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine
CID 106653153
1-(cycloocten-1-yl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine
CID 106654804
1-(cyclohexen-1-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 62078170
N-[1-(cyclohexen-1-yl)-2-(3,4-dichlorophenyl)ethyl]propan-1-amine
CID 63506622
1-(cycloocten-1-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine
CID 106654785
N-[1-(4-chlorophenyl)-2-phenoxyethyl]propan-1-amine
CID 63416707
N-[1-(cyclohexen-1-yl)-2-cyclopentylethyl]propan-1-amine
CID 63505316
N-[1-(3,4-dimethylphenyl)-2-phenoxyethyl]propan-1-amine
CID 63416441
N-[1-(2,4-dimethylphenyl)-2-phenoxyethyl]propan-1-amine
CID 63416221
N-[1-(cycloocten-1-yl)-2-cyclopentylsulfanylethyl]propan-1-amine
CID 106653177
N-[1-(cyclopenten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 103207516

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohepten-1-yl)-2-phenoxyethyl]propan-1-amine?
The IUPAC name of N-[1-(cyclohepten-1-yl)-2-phenoxyethyl]propan-1-amine (CID 106652812) is N-[1-(cyclohepten-1-yl)-2-phenoxyethyl]propan-1-amine.
What is the SMILES notation for N-[1-(cyclohepten-1-yl)-2-phenoxyethyl]propan-1-amine?
The canonical SMILES for N-[1-(cyclohepten-1-yl)-2-phenoxyethyl]propan-1-amine is CCCNC(COc1ccccc1)C1=CCCCCC1.
What is the InChIKey of N-[1-(cyclohepten-1-yl)-2-phenoxyethyl]propan-1-amine?
The InChIKey is HYEHGUOASLTDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-2-14-19-18(16-10-6-3-4-7-11-16)15-20-17-12-8-5-9-13-17/h5,8-10,12-13,18-19H,2-4,6-7,11,14-15H2,1H3.
What are the key properties of N-[1-(cyclohepten-1-yl)-2-phenoxyethyl]propan-1-amine?
N-[1-(cyclohepten-1-yl)-2-phenoxyethyl]propan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohepten-1-yl)-2-phenoxyethyl]propan-1-amine is sourced from PubChem (CID 106652812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).