1-(3-chlorophenyl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine

C17H26ClNO — CID 116770877

IUPAC1-(3-chlorophenyl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine
SMILESCCOC1(C(NC)c2cccc(Cl)c2)CCCCCC1
InChIInChI=1S/C17H26ClNO/c1-3-20-17(11-6-4-5-7-12-17)16(19-2)14-9-8-10-15(18)13-14/h8-10,13,16,19H,3-7,11-12H2,1-2H3
InChIKeyDFFWKPAGVWIMNS-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.73
Rot. Bonds5

About 1-(3-chlorophenyl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine

1-(3-chlorophenyl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine (PubChem CID 116770877) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine
PubChem CID116770877
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name1-(3-chlorophenyl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine
SMILESCCOC1(C(NC)c2cccc(Cl)c2)CCCCCC1
InChIInChI=1S/C17H26ClNO/c1-3-20-17(11-6-4-5-7-12-17)16(19-2)14-9-8-10-15(18)13-14/h8-10,13,16,19H,3-7,11-12H2,1-2H3
InChIKeyDFFWKPAGVWIMNS-UHFFFAOYSA-N
XLogP4.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethoxycyclohexyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 116763952
1-(1-ethoxycyclohexyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 116763933
1-(3-cyclobutylphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine
CID 114604846
1-(1-ethoxycycloheptyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 116770881
1-(1-ethoxycyclopentyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 116761869
N-[(3-chlorophenyl)-(4-ethoxyoxan-4-yl)methyl]propan-1-amine
CID 116766029
N-[(1-ethoxycyclohexyl)-(3-methylphenyl)methyl]ethanamine
CID 116764104
1-(1-ethoxycyclohexyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 116763851
N-[(1-ethoxycycloheptyl)-(3-fluorophenyl)methyl]ethanamine
CID 116771021
1-(3,5-dimethoxyphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine
CID 116761840
1-(4-ethoxyoxan-4-yl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 116765647
[(4-chloro-2-fluorophenyl)-(1-ethoxycyclohexyl)methyl]hydrazine
CID 105276350

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine?
The IUPAC name of 1-(3-chlorophenyl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine (CID 116770877) is 1-(3-chlorophenyl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-chlorophenyl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine is CCOC1(C(NC)c2cccc(Cl)c2)CCCCCC1.
What is the InChIKey of 1-(3-chlorophenyl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine?
The InChIKey is DFFWKPAGVWIMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-3-20-17(11-6-4-5-7-12-17)16(19-2)14-9-8-10-15(18)13-14/h8-10,13,16,19H,3-7,11-12H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine?
1-(3-chlorophenyl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine has a molecular weight of 295.85 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine is sourced from PubChem (CID 116770877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).