1-(3-bromo-2-fluorophenyl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine

C17H25BrFNO — CID 106646181

IUPAC1-(3-bromo-2-fluorophenyl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine
SMILESCCOC1(C(NC)c2cccc(Br)c2F)CCCCCC1
InChIInChI=1S/C17H25BrFNO/c1-3-21-17(11-6-4-5-7-12-17)16(20-2)13-9-8-10-14(18)15(13)19/h8-10,16,20H,3-7,11-12H2,1-2H3
InChIKeyNRVMLRURCVVUBU-UHFFFAOYSA-N
MW358.30 g/mol
LogP4.98
Rot. Bonds5

About 1-(3-bromo-2-fluorophenyl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine

1-(3-bromo-2-fluorophenyl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine (PubChem CID 106646181) has the molecular formula C17H25BrFNO and a molecular weight of 358.30 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine
PubChem CID106646181
Molecular FormulaC17H25BrFNO
Molecular Weight358.30 g/mol
Exact Mass357.11
IUPAC Name1-(3-bromo-2-fluorophenyl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine
SMILESCCOC1(C(NC)c2cccc(Br)c2F)CCCCCC1
InChIInChI=1S/C17H25BrFNO/c1-3-21-17(11-6-4-5-7-12-17)16(20-2)13-9-8-10-14(18)15(13)19/h8-10,16,20H,3-7,11-12H2,1-2H3
InChIKeyNRVMLRURCVVUBU-UHFFFAOYSA-N
XLogP4.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.30
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromo-2-fluorophenyl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromo-2-fluorophenyl)-1-(1-ethoxycyclohexyl)-N-methylmethanamine
CID 106646157
1-(1-ethoxycycloheptyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 116770913
1-(3-bromo-2-fluorophenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine
CID 106830781
1-(2,3-difluoro-4-methylphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine
CID 107513876
1-(4-bromothiophen-3-yl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine
CID 116761996
1-(1-ethoxycyclohexyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 116763933
1-(2,3-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 116768338
1-(3-bromothiophen-2-yl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine
CID 116770817
1-[(3-bromo-2-fluorophenyl)-(ethylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 106645829
1-(2,6-dimethoxyphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine
CID 116810820
1-(1-ethoxycyclohexyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 116763952
1-(3-chlorophenyl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine
CID 116770877

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine (CID 106646181) is 1-(3-bromo-2-fluorophenyl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine is CCOC1(C(NC)c2cccc(Br)c2F)CCCCCC1.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine?
The InChIKey is NRVMLRURCVVUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrFNO/c1-3-21-17(11-6-4-5-7-12-17)16(20-2)13-9-8-10-14(18)15(13)19/h8-10,16,20H,3-7,11-12H2,1-2H3.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine?
1-(3-bromo-2-fluorophenyl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine has a molecular weight of 358.30 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluorophenyl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine is sourced from PubChem (CID 106646181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).