3-[[(3-bromophenyl)methyl-methylamino]methyl]-N-ethyloxan-4-amine

C16H25BrN2O — CID 103059502

IUPAC3-[[(3-bromophenyl)methyl-methylamino]methyl]-N-ethyloxan-4-amine
SMILESCCNC1CCOCC1CN(C)Cc1cccc(Br)c1
InChIInChI=1S/C16H25BrN2O/c1-3-18-16-7-8-20-12-14(16)11-19(2)10-13-5-4-6-15(17)9-13/h4-6,9,14,16,18H,3,7-8,10-12H2,1-2H3
InChIKeyMFMXAXDPTYOLCF-UHFFFAOYSA-N
MW341.29 g/mol
LogP2.90
Rot. Bonds6

About 3-[[(3-bromophenyl)methyl-methylamino]methyl]-N-ethyloxan-4-amine

3-[[(3-bromophenyl)methyl-methylamino]methyl]-N-ethyloxan-4-amine (PubChem CID 103059502) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is 3-[[(3-bromophenyl)methyl-methylamino]methyl]-N-ethyloxan-4-amine.

Molecular Properties

Compound Name3-[[(3-bromophenyl)methyl-methylamino]methyl]-N-ethyloxan-4-amine
PubChem CID103059502
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name3-[[(3-bromophenyl)methyl-methylamino]methyl]-N-ethyloxan-4-amine
SMILESCCNC1CCOCC1CN(C)Cc1cccc(Br)c1
InChIInChI=1S/C16H25BrN2O/c1-3-18-16-7-8-20-12-14(16)11-19(2)10-13-5-4-6-15(17)9-13/h4-6,9,14,16,18H,3,7-8,10-12H2,1-2H3
InChIKeyMFMXAXDPTYOLCF-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]oxan-4-amine
CID 103059842
N-ethyl-3-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxan-4-amine
CID 103059827
2-[[(3-bromophenyl)methyl-methylamino]methyl]-N-propylcyclopentan-1-amine
CID 62609650
N-[(3-bromophenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 63711588
N-ethyl-3-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]oxan-4-amine
CID 103060638
3-[[benzyl(propan-2-yl)amino]methyl]-N-ethyloxan-4-amine
CID 103058468
3-[[(3-bromophenyl)methyl-methylamino]methyl]oxan-4-one
CID 103057852
N-ethyl-3-[(4-ethyl-N-methylanilino)methyl]oxan-4-amine
CID 103059424
3-[[methyl(2-phenylethyl)amino]methyl]-N-propyloxan-4-amine
CID 103060387
N-[(3-bromophenyl)methyl]-1-cyclopentyl-N-methylmethanamine
CID 55151680
1-[5-[[(3-bromophenyl)methyl-methylamino]methyl]oxolan-2-yl]-N-methylmethanamine
CID 62462715
3-[[furan-2-ylmethyl(methyl)amino]methyl]-N-propyloxan-4-amine
CID 103058819

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-bromophenyl)methyl-methylamino]methyl]-N-ethyloxan-4-amine?
The IUPAC name of 3-[[(3-bromophenyl)methyl-methylamino]methyl]-N-ethyloxan-4-amine (CID 103059502) is 3-[[(3-bromophenyl)methyl-methylamino]methyl]-N-ethyloxan-4-amine.
What is the SMILES notation for 3-[[(3-bromophenyl)methyl-methylamino]methyl]-N-ethyloxan-4-amine?
The canonical SMILES for 3-[[(3-bromophenyl)methyl-methylamino]methyl]-N-ethyloxan-4-amine is CCNC1CCOCC1CN(C)Cc1cccc(Br)c1.
What is the InChIKey of 3-[[(3-bromophenyl)methyl-methylamino]methyl]-N-ethyloxan-4-amine?
The InChIKey is MFMXAXDPTYOLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-3-18-16-7-8-20-12-14(16)11-19(2)10-13-5-4-6-15(17)9-13/h4-6,9,14,16,18H,3,7-8,10-12H2,1-2H3.
What are the key properties of 3-[[(3-bromophenyl)methyl-methylamino]methyl]-N-ethyloxan-4-amine?
3-[[(3-bromophenyl)methyl-methylamino]methyl]-N-ethyloxan-4-amine has a molecular weight of 341.29 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-bromophenyl)methyl-methylamino]methyl]-N-ethyloxan-4-amine is sourced from PubChem (CID 103059502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).