1-[2-(3-bromo-2,6-difluorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine

C16H23BrF2N2 — CID 106267919

IUPAC1-[2-(3-bromo-2,6-difluorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
SMILESCNC(Cc1c(F)ccc(Br)c1F)C1(N(C)C)CCCC1
InChIInChI=1S/C16H23BrF2N2/c1-20-14(16(21(2)3)8-4-5-9-16)10-11-13(18)7-6-12(17)15(11)19/h6-7,14,20H,4-5,8-10H2,1-3H3
InChIKeyAJSXBMBREJFYGN-UHFFFAOYSA-N
MW361.27 g/mol
LogP3.73
Rot. Bonds5

About 1-[2-(3-bromo-2,6-difluorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine

1-[2-(3-bromo-2,6-difluorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine (PubChem CID 106267919) has the molecular formula C16H23BrF2N2 and a molecular weight of 361.27 g/mol. Its IUPAC name is 1-[2-(3-bromo-2,6-difluorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[2-(3-bromo-2,6-difluorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
PubChem CID106267919
Molecular FormulaC16H23BrF2N2
Molecular Weight361.27 g/mol
Exact Mass360.10
IUPAC Name1-[2-(3-bromo-2,6-difluorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
SMILESCNC(Cc1c(F)ccc(Br)c1F)C1(N(C)C)CCCC1
InChIInChI=1S/C16H23BrF2N2/c1-20-14(16(21(2)3)8-4-5-9-16)10-11-13(18)7-6-12(17)15(11)19/h6-7,14,20H,4-5,8-10H2,1-3H3
InChIKeyAJSXBMBREJFYGN-UHFFFAOYSA-N
XLogP3.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.27
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine
CID 106274248
2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine
CID 106268475
1-[2-(2-chloro-6-fluorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 79070602
1-[2-(2-bromophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79065996
[2-(3-bromo-2,6-difluorophenyl)-1-(2-methylthiolan-2-yl)ethyl]hydrazine
CID 106271374
[2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclohexyl)ethyl]hydrazine
CID 106271227
1-[2-(2,6-dichlorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79060882
N,N-dimethyl-1-[1-(methylamino)-2-phenylethyl]cyclopentan-1-amine
CID 79070215
1-[(3-bromo-2,6-difluorophenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine
CID 106945372
N,N-dimethyl-1-[1-(methylamino)-2-(4-methylphenyl)ethyl]cyclopentan-1-amine
CID 79070291
1-(3-bromo-2,6-difluorophenyl)-3-methoxy-N-methylpropan-2-amine
CID 106267048
3-(3-bromo-2,6-difluorophenyl)-1,1-dimethoxy-N-methylpropan-2-amine
CID 106268006

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromo-2,6-difluorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine?
The IUPAC name of 1-[2-(3-bromo-2,6-difluorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine (CID 106267919) is 1-[2-(3-bromo-2,6-difluorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-[2-(3-bromo-2,6-difluorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-[2-(3-bromo-2,6-difluorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine is CNC(Cc1c(F)ccc(Br)c1F)C1(N(C)C)CCCC1.
What is the InChIKey of 1-[2-(3-bromo-2,6-difluorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine?
The InChIKey is AJSXBMBREJFYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrF2N2/c1-20-14(16(21(2)3)8-4-5-9-16)10-11-13(18)7-6-12(17)15(11)19/h6-7,14,20H,4-5,8-10H2,1-3H3.
What are the key properties of 1-[2-(3-bromo-2,6-difluorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine?
1-[2-(3-bromo-2,6-difluorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine has a molecular weight of 361.27 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromo-2,6-difluorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine is sourced from PubChem (CID 106267919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).