cycloheptyl-(4-cyclopropyloxyphenyl)methanamine

C17H25NO — CID 114519512

IUPACcycloheptyl-(4-cyclopropyloxyphenyl)methanamine
SMILESNC(c1ccc(OC2CC2)cc1)C1CCCCCC1
InChIInChI=1S/C17H25NO/c18-17(13-5-3-1-2-4-6-13)14-7-9-15(10-8-14)19-16-11-12-16/h7-10,13,16-17H,1-6,11-12,18H2
InChIKeyAPNCAIBWPHFPDG-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.20
Rot. Bonds4

About cycloheptyl-(4-cyclopropyloxyphenyl)methanamine

cycloheptyl-(4-cyclopropyloxyphenyl)methanamine (PubChem CID 114519512) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is cycloheptyl-(4-cyclopropyloxyphenyl)methanamine.

Molecular Properties

Compound Namecycloheptyl-(4-cyclopropyloxyphenyl)methanamine
PubChem CID114519512
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Namecycloheptyl-(4-cyclopropyloxyphenyl)methanamine
SMILESNC(c1ccc(OC2CC2)cc1)C1CCCCCC1
InChIInChI=1S/C17H25NO/c18-17(13-5-3-1-2-4-6-13)14-7-9-15(10-8-14)19-16-11-12-16/h7-10,13,16-17H,1-6,11-12,18H2
InChIKeyAPNCAIBWPHFPDG-UHFFFAOYSA-N
XLogP4.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-1-(4-cyclopropyloxyphenyl)ethanamine
CID 105051379
cyclobutyl-(4-cyclopropyloxyphenyl)methanol
CID 114518671
(4-cyclopropyloxyphenyl)-(4-propylcyclohexyl)methanamine
CID 114519515
1-(4-cyclopentyloxyphenyl)ethanamine;hydrochloride
CID 155890234
(4-chlorophenyl)-cyclooctylmethanamine
CID 65018889
(R)-cyclohexyl-(4-iodophenyl)methanamine
CID 171202889
(4-chlorophenyl)-cyclohexylmethanamine
CID 12559039
cyclohexyl(phenyl)methanamine
CID 11064121
4-[(S)-amino(cyclobutyl)methyl]phenol
CID 130741168
4-[(R)-amino(cyclobutyl)methyl]phenol
CID 130780811
1-(4-cyclopropyloxyphenyl)-2-methylpropan-1-amine
CID 114519212
1-cyclobutyl-1-(4-cyclopropyloxyphenyl)-N-methylmethanamine
CID 114519446

Frequently Asked Questions

What is the IUPAC name of cycloheptyl-(4-cyclopropyloxyphenyl)methanamine?
The IUPAC name of cycloheptyl-(4-cyclopropyloxyphenyl)methanamine (CID 114519512) is cycloheptyl-(4-cyclopropyloxyphenyl)methanamine.
What is the SMILES notation for cycloheptyl-(4-cyclopropyloxyphenyl)methanamine?
The canonical SMILES for cycloheptyl-(4-cyclopropyloxyphenyl)methanamine is NC(c1ccc(OC2CC2)cc1)C1CCCCCC1.
What is the InChIKey of cycloheptyl-(4-cyclopropyloxyphenyl)methanamine?
The InChIKey is APNCAIBWPHFPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c18-17(13-5-3-1-2-4-6-13)14-7-9-15(10-8-14)19-16-11-12-16/h7-10,13,16-17H,1-6,11-12,18H2.
What are the key properties of cycloheptyl-(4-cyclopropyloxyphenyl)methanamine?
cycloheptyl-(4-cyclopropyloxyphenyl)methanamine has a molecular weight of 259.39 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl-(4-cyclopropyloxyphenyl)methanamine is sourced from PubChem (CID 114519512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).