1-[amino-(3-bromo-2,6-difluorophenyl)methyl]-N,N-diethylcyclopentan-1-amine

C16H23BrF2N2 — CID 106942748

IUPAC1-[amino-(3-bromo-2,6-difluorophenyl)methyl]-N,N-diethylcyclopentan-1-amine
SMILESCCN(CC)C1(C(N)c2c(F)ccc(Br)c2F)CCCC1
InChIInChI=1S/C16H23BrF2N2/c1-3-21(4-2)16(9-5-6-10-16)15(20)13-12(18)8-7-11(17)14(13)19/h7-8,15H,3-6,9-10,20H2,1-2H3
InChIKeyCPDNMTNQLAOXCP-UHFFFAOYSA-N
MW361.27 g/mol
LogP4.38
Rot. Bonds5

About 1-[amino-(3-bromo-2,6-difluorophenyl)methyl]-N,N-diethylcyclopentan-1-amine

1-[amino-(3-bromo-2,6-difluorophenyl)methyl]-N,N-diethylcyclopentan-1-amine (PubChem CID 106942748) has the molecular formula C16H23BrF2N2 and a molecular weight of 361.27 g/mol. Its IUPAC name is 1-[amino-(3-bromo-2,6-difluorophenyl)methyl]-N,N-diethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[amino-(3-bromo-2,6-difluorophenyl)methyl]-N,N-diethylcyclopentan-1-amine
PubChem CID106942748
Molecular FormulaC16H23BrF2N2
Molecular Weight361.27 g/mol
Exact Mass360.10
IUPAC Name1-[amino-(3-bromo-2,6-difluorophenyl)methyl]-N,N-diethylcyclopentan-1-amine
SMILESCCN(CC)C1(C(N)c2c(F)ccc(Br)c2F)CCCC1
InChIInChI=1S/C16H23BrF2N2/c1-3-21(4-2)16(9-5-6-10-16)15(20)13-12(18)8-7-11(17)14(13)19/h7-8,15H,3-6,9-10,20H2,1-2H3
InChIKeyCPDNMTNQLAOXCP-UHFFFAOYSA-N
XLogP4.38
TPSA29.26 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 ≤ 54.38
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

1-[(3-bromo-2,6-difluorophenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine
CID 106945372
1-[amino-(4-bromothiophen-3-yl)methyl]-N,N-diethylcyclopentan-1-amine
CID 79601627
(1S)-1-(3-bromo-2,6-difluorophenyl)propan-1-amine;hydrochloride
CID 171224706
1-[amino-(3-fluoro-4-methoxyphenyl)methyl]-N,N-diethylcyclopentan-1-amine
CID 79059390
[(3-bromo-2,6-difluorophenyl)-(1-methylcyclopentyl)methyl]hydrazine
CID 106945625
1-[amino-(4-bromo-1-methylpyrazol-5-yl)methyl]-N,N-diethylcyclopentan-1-amine
CID 114657001
1-[amino-(2,6-difluorophenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79065982
1-[amino(cyclohexen-1-yl)methyl]-N,N-diethylcyclopentan-1-amine
CID 106653676
(3-bromo-2,6-difluorophenyl)-(1-ethoxycyclohexyl)methanol
CID 106942119
1-(3-bromo-2,6-difluorophenyl)pentan-1-amine
CID 103947002
(3-bromo-2,6-difluorophenyl)-(4,4-dimethylcyclohexyl)methanamine
CID 106942605
1-[1-amino-2-(4-fluorophenyl)ethyl]-N,N-diethylcyclopentan-1-amine
CID 79069802

Frequently Asked Questions

What is the IUPAC name of 1-[amino-(3-bromo-2,6-difluorophenyl)methyl]-N,N-diethylcyclopentan-1-amine?
The IUPAC name of 1-[amino-(3-bromo-2,6-difluorophenyl)methyl]-N,N-diethylcyclopentan-1-amine (CID 106942748) is 1-[amino-(3-bromo-2,6-difluorophenyl)methyl]-N,N-diethylcyclopentan-1-amine.
What is the SMILES notation for 1-[amino-(3-bromo-2,6-difluorophenyl)methyl]-N,N-diethylcyclopentan-1-amine?
The canonical SMILES for 1-[amino-(3-bromo-2,6-difluorophenyl)methyl]-N,N-diethylcyclopentan-1-amine is CCN(CC)C1(C(N)c2c(F)ccc(Br)c2F)CCCC1.
What is the InChIKey of 1-[amino-(3-bromo-2,6-difluorophenyl)methyl]-N,N-diethylcyclopentan-1-amine?
The InChIKey is CPDNMTNQLAOXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrF2N2/c1-3-21(4-2)16(9-5-6-10-16)15(20)13-12(18)8-7-11(17)14(13)19/h7-8,15H,3-6,9-10,20H2,1-2H3.
What are the key properties of 1-[amino-(3-bromo-2,6-difluorophenyl)methyl]-N,N-diethylcyclopentan-1-amine?
1-[amino-(3-bromo-2,6-difluorophenyl)methyl]-N,N-diethylcyclopentan-1-amine has a molecular weight of 361.27 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(3-bromo-2,6-difluorophenyl)methyl]-N,N-diethylcyclopentan-1-amine is sourced from PubChem (CID 106942748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).