2-cycloheptyl-1-(4-propoxyphenyl)ethanamine

C18H29NO — CID 115853480

IUPAC2-cycloheptyl-1-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(N)CC2CCCCCC2)cc1
InChIInChI=1S/C18H29NO/c1-2-13-20-17-11-9-16(10-12-17)18(19)14-15-7-5-3-4-6-8-15/h9-12,15,18H,2-8,13-14,19H2,1H3
InChIKeyGNIDVCGBGJMLRT-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.84
Rot. Bonds6

About 2-cycloheptyl-1-(4-propoxyphenyl)ethanamine

2-cycloheptyl-1-(4-propoxyphenyl)ethanamine (PubChem CID 115853480) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-cycloheptyl-1-(4-propoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-cycloheptyl-1-(4-propoxyphenyl)ethanamine
PubChem CID115853480
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-cycloheptyl-1-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(N)CC2CCCCCC2)cc1
InChIInChI=1S/C18H29NO/c1-2-13-20-17-11-9-16(10-12-17)18(19)14-15-7-5-3-4-6-8-15/h9-12,15,18H,2-8,13-14,19H2,1H3
InChIKeyGNIDVCGBGJMLRT-UHFFFAOYSA-N
XLogP4.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-butoxyphenyl)-2-cyclopentylethanamine
CID 105139075
[2-cycloheptyl-1-(4-propoxyphenyl)ethyl]hydrazine
CID 105303625
2-(cyclopentylmethoxy)-1-(4-propoxyphenyl)ethanamine
CID 66323892
1-[4-(2-cyclohexylethoxy)phenyl]propan-1-amine
CID 54793709
N'-cyclopentyl-N'-methyl-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 43267132
2-cyclohexyl-1-(4-cyclopropyloxyphenyl)ethanamine
CID 105051379
2-(cyclopropylmethoxy)-1-(4-propoxyphenyl)ethanamine
CID 43211713
2-cycloheptyl-1-(4-propan-2-ylphenyl)ethanamine
CID 114457625
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
(1R)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 66516534
2-cyclopentyl-1-(4-phenoxyphenyl)ethanamine
CID 45253768
(4-ethylcyclohexyl)-(4-propoxyphenyl)methanamine
CID 65393938

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-1-(4-propoxyphenyl)ethanamine?
The IUPAC name of 2-cycloheptyl-1-(4-propoxyphenyl)ethanamine (CID 115853480) is 2-cycloheptyl-1-(4-propoxyphenyl)ethanamine.
What is the SMILES notation for 2-cycloheptyl-1-(4-propoxyphenyl)ethanamine?
The canonical SMILES for 2-cycloheptyl-1-(4-propoxyphenyl)ethanamine is CCCOc1ccc(C(N)CC2CCCCCC2)cc1.
What is the InChIKey of 2-cycloheptyl-1-(4-propoxyphenyl)ethanamine?
The InChIKey is GNIDVCGBGJMLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-2-13-20-17-11-9-16(10-12-17)18(19)14-15-7-5-3-4-6-8-15/h9-12,15,18H,2-8,13-14,19H2,1H3.
What are the key properties of 2-cycloheptyl-1-(4-propoxyphenyl)ethanamine?
2-cycloheptyl-1-(4-propoxyphenyl)ethanamine has a molecular weight of 275.44 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-1-(4-propoxyphenyl)ethanamine is sourced from PubChem (CID 115853480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).