1-benzothiophen-7-yl-(1-ethoxycycloheptyl)methanamine

C18H25NOS — CID 116770542

IUPAC1-benzothiophen-7-yl-(1-ethoxycycloheptyl)methanamine
SMILESCCOC1(C(N)c2cccc3ccsc23)CCCCCC1
InChIInChI=1S/C18H25NOS/c1-2-20-18(11-5-3-4-6-12-18)17(19)15-9-7-8-14-10-13-21-16(14)15/h7-10,13,17H,2-6,11-12,19H2,1H3
InChIKeyNZNNSKSTFQCASU-UHFFFAOYSA-N
MW303.47 g/mol
LogP5.03
Rot. Bonds4

About 1-benzothiophen-7-yl-(1-ethoxycycloheptyl)methanamine

1-benzothiophen-7-yl-(1-ethoxycycloheptyl)methanamine (PubChem CID 116770542) has the molecular formula C18H25NOS and a molecular weight of 303.47 g/mol. Its IUPAC name is 1-benzothiophen-7-yl-(1-ethoxycycloheptyl)methanamine.

Molecular Properties

Compound Name1-benzothiophen-7-yl-(1-ethoxycycloheptyl)methanamine
PubChem CID116770542
Molecular FormulaC18H25NOS
Molecular Weight303.47 g/mol
Exact Mass303.17
IUPAC Name1-benzothiophen-7-yl-(1-ethoxycycloheptyl)methanamine
SMILESCCOC1(C(N)c2cccc3ccsc23)CCCCCC1
InChIInChI=1S/C18H25NOS/c1-2-20-18(11-5-3-4-6-12-18)17(19)15-9-7-8-14-10-13-21-16(14)15/h7-10,13,17H,2-6,11-12,19H2,1H3
InChIKeyNZNNSKSTFQCASU-UHFFFAOYSA-N
XLogP5.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.47
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-benzothiophen-7-yl-(4-ethoxyoxan-4-yl)methyl]hydrazine
CID 105276799
1-benzothiophen-7-yl-(1-phenylcyclobutyl)methanamine
CID 81128732
1-(1-benzothiophen-7-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine
CID 116762819
1-benzothiophen-7-yl-(1-ethylcyclopentyl)methanol
CID 115827254
1-(1-benzothiophen-7-yl)-2-methylbutan-1-amine
CID 81154241
1-benzothiophen-7-yl-(1-phenylcyclopropyl)methanamine
CID 81128591
(1-ethoxycyclohexyl)-(2-methoxy-5-methylphenyl)methanamine
CID 116763532
(2,6-dimethoxyphenyl)-(1-ethoxycyclopentyl)methanamine
CID 116810819
(1-ethoxycyclohexyl)-(furan-2-yl)methanamine
CID 116763590
(1-ethoxycyclohexyl)-(3-methoxyphenyl)methanamine
CID 116763600
1-(1-benzothiophen-7-yl)-2-cyclopropyl-2-ethoxyethanamine
CID 116722960
(5-chloro-2-methoxyphenyl)-(1-ethoxycycloheptyl)methanamine
CID 116770642

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-7-yl-(1-ethoxycycloheptyl)methanamine?
The IUPAC name of 1-benzothiophen-7-yl-(1-ethoxycycloheptyl)methanamine (CID 116770542) is 1-benzothiophen-7-yl-(1-ethoxycycloheptyl)methanamine.
What is the SMILES notation for 1-benzothiophen-7-yl-(1-ethoxycycloheptyl)methanamine?
The canonical SMILES for 1-benzothiophen-7-yl-(1-ethoxycycloheptyl)methanamine is CCOC1(C(N)c2cccc3ccsc23)CCCCCC1.
What is the InChIKey of 1-benzothiophen-7-yl-(1-ethoxycycloheptyl)methanamine?
The InChIKey is NZNNSKSTFQCASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NOS/c1-2-20-18(11-5-3-4-6-12-18)17(19)15-9-7-8-14-10-13-21-16(14)15/h7-10,13,17H,2-6,11-12,19H2,1H3.
What are the key properties of 1-benzothiophen-7-yl-(1-ethoxycycloheptyl)methanamine?
1-benzothiophen-7-yl-(1-ethoxycycloheptyl)methanamine has a molecular weight of 303.47 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-7-yl-(1-ethoxycycloheptyl)methanamine is sourced from PubChem (CID 116770542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).