1-[(3-bromofuran-2-yl)-(ethylamino)methyl]-N,N-dimethylcyclohexan-1-amine

C15H25BrN2O — CID 79065998

IUPAC1-[(3-bromofuran-2-yl)-(ethylamino)methyl]-N,N-dimethylcyclohexan-1-amine
SMILESCCNC(c1occc1Br)C1(N(C)C)CCCCC1
InChIInChI=1S/C15H25BrN2O/c1-4-17-14(13-12(16)8-11-19-13)15(18(2)3)9-6-5-7-10-15/h8,11,14,17H,4-7,9-10H2,1-3H3
InChIKeyCOLMIDSSXMBSSC-UHFFFAOYSA-N
MW329.28 g/mol
LogP3.96
Rot. Bonds5

About 1-[(3-bromofuran-2-yl)-(ethylamino)methyl]-N,N-dimethylcyclohexan-1-amine

1-[(3-bromofuran-2-yl)-(ethylamino)methyl]-N,N-dimethylcyclohexan-1-amine (PubChem CID 79065998) has the molecular formula C15H25BrN2O and a molecular weight of 329.28 g/mol. Its IUPAC name is 1-[(3-bromofuran-2-yl)-(ethylamino)methyl]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(3-bromofuran-2-yl)-(ethylamino)methyl]-N,N-dimethylcyclohexan-1-amine
PubChem CID79065998
Molecular FormulaC15H25BrN2O
Molecular Weight329.28 g/mol
Exact Mass328.12
IUPAC Name1-[(3-bromofuran-2-yl)-(ethylamino)methyl]-N,N-dimethylcyclohexan-1-amine
SMILESCCNC(c1occc1Br)C1(N(C)C)CCCCC1
InChIInChI=1S/C15H25BrN2O/c1-4-17-14(13-12(16)8-11-19-13)15(18(2)3)9-6-5-7-10-15/h8,11,14,17H,4-7,9-10H2,1-3H3
InChIKeyCOLMIDSSXMBSSC-UHFFFAOYSA-N
XLogP3.96
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-bromofuran-2-yl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79070216
1-[amino-(3-bromofuran-2-yl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066055
1-(3-bromofuran-2-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine
CID 106830126
1-[(3-bromo-2-fluorophenyl)-(ethylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 106645829
1-[ethylamino-(4-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79065926
N-[(3-bromofuran-2-yl)-cyclohexylmethyl]ethanamine
CID 63942248
1-[ethylamino-(4-propylphenyl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79058158
1-[furan-2-yl(propylamino)methyl]-N,N-dimethylcycloheptan-1-amine
CID 79080475
1-[2,3-dihydrofuran-5-yl(ethylamino)methyl]-N,N-dimethylcycloheptan-1-amine
CID 102651868
1-[(3-bromofuran-2-yl)-hydroxymethyl]cycloheptan-1-ol
CID 103452084
1-[(3-bromofuran-2-yl)-hydroxymethyl]cyclohexan-1-ol
CID 103451748
(3-bromofuran-2-yl)-(1-ethylcyclopentyl)methanamine
CID 115861563

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromofuran-2-yl)-(ethylamino)methyl]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[(3-bromofuran-2-yl)-(ethylamino)methyl]-N,N-dimethylcyclohexan-1-amine (CID 79065998) is 1-[(3-bromofuran-2-yl)-(ethylamino)methyl]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[(3-bromofuran-2-yl)-(ethylamino)methyl]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[(3-bromofuran-2-yl)-(ethylamino)methyl]-N,N-dimethylcyclohexan-1-amine is CCNC(c1occc1Br)C1(N(C)C)CCCCC1.
What is the InChIKey of 1-[(3-bromofuran-2-yl)-(ethylamino)methyl]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is COLMIDSSXMBSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2O/c1-4-17-14(13-12(16)8-11-19-13)15(18(2)3)9-6-5-7-10-15/h8,11,14,17H,4-7,9-10H2,1-3H3.
What are the key properties of 1-[(3-bromofuran-2-yl)-(ethylamino)methyl]-N,N-dimethylcyclohexan-1-amine?
1-[(3-bromofuran-2-yl)-(ethylamino)methyl]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 329.28 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromofuran-2-yl)-(ethylamino)methyl]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79065998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).