(5-chloro-2-methoxyphenyl)-(1-ethoxycycloheptyl)methanamine

C17H26ClNO2 — CID 116770642

IUPAC(5-chloro-2-methoxyphenyl)-(1-ethoxycycloheptyl)methanamine
SMILESCCOC1(C(N)c2cc(Cl)ccc2OC)CCCCCC1
InChIInChI=1S/C17H26ClNO2/c1-3-21-17(10-6-4-5-7-11-17)16(19)14-12-13(18)8-9-15(14)20-2/h8-9,12,16H,3-7,10-11,19H2,1-2H3
InChIKeyHLFSNVQTVKBCGX-UHFFFAOYSA-N
MW311.85 g/mol
LogP4.48
Rot. Bonds5

About (5-chloro-2-methoxyphenyl)-(1-ethoxycycloheptyl)methanamine

(5-chloro-2-methoxyphenyl)-(1-ethoxycycloheptyl)methanamine (PubChem CID 116770642) has the molecular formula C17H26ClNO2 and a molecular weight of 311.85 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-(1-ethoxycycloheptyl)methanamine.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-(1-ethoxycycloheptyl)methanamine
PubChem CID116770642
Molecular FormulaC17H26ClNO2
Molecular Weight311.85 g/mol
Exact Mass311.17
IUPAC Name(5-chloro-2-methoxyphenyl)-(1-ethoxycycloheptyl)methanamine
SMILESCCOC1(C(N)c2cc(Cl)ccc2OC)CCCCCC1
InChIInChI=1S/C17H26ClNO2/c1-3-21-17(10-6-4-5-7-11-17)16(19)14-12-13(18)8-9-15(14)20-2/h8-9,12,16H,3-7,10-11,19H2,1-2H3
InChIKeyHLFSNVQTVKBCGX-UHFFFAOYSA-N
XLogP4.48
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.85
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-ethoxycyclohexyl)-(2-methoxy-5-methylphenyl)methanamine
CID 116763532
[(5-chloro-2-methoxyphenyl)-(1-ethoxycyclohexyl)methyl]hydrazine
CID 105276423
(1-ethoxycyclopentyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 116761694
(1-ethoxycycloheptyl)-(2-fluoro-5-methylphenyl)methanamine
CID 116770564
(5-chloro-2-methoxyphenyl)-(1-methoxycycloheptyl)methanol
CID 116756025
1-[amino-(5-chloro-2-methoxyphenyl)methyl]cyclobutane-1-carboxylic acid
CID 116944055
(2,6-dimethoxyphenyl)-(1-ethoxycyclopentyl)methanamine
CID 116810819
(5-bromo-2-fluorophenyl)-(1-ethoxycyclopentyl)methanamine
CID 116761622
1-(5-chloro-2-methoxyphenyl)-1-(1-methoxycyclohexyl)-N-methylmethanamine
CID 116762928
(1-ethoxycyclohexyl)-(2-methoxy-5-methylphenyl)methanol
CID 116753700
(1-ethoxycyclohexyl)-(3-methoxyphenyl)methanamine
CID 116763600
(1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 171234656

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-(1-ethoxycycloheptyl)methanamine?
The IUPAC name of (5-chloro-2-methoxyphenyl)-(1-ethoxycycloheptyl)methanamine (CID 116770642) is (5-chloro-2-methoxyphenyl)-(1-ethoxycycloheptyl)methanamine.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-(1-ethoxycycloheptyl)methanamine?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-(1-ethoxycycloheptyl)methanamine is CCOC1(C(N)c2cc(Cl)ccc2OC)CCCCCC1.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-(1-ethoxycycloheptyl)methanamine?
The InChIKey is HLFSNVQTVKBCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO2/c1-3-21-17(10-6-4-5-7-11-17)16(19)14-12-13(18)8-9-15(14)20-2/h8-9,12,16H,3-7,10-11,19H2,1-2H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-(1-ethoxycycloheptyl)methanamine?
(5-chloro-2-methoxyphenyl)-(1-ethoxycycloheptyl)methanamine has a molecular weight of 311.85 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-(1-ethoxycycloheptyl)methanamine is sourced from PubChem (CID 116770642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).