1-(3,5-dibromophenyl)-4-methoxy-N,4-dimethylpentan-1-amine

C14H21Br2NO — CID 114023299

IUPAC1-(3,5-dibromophenyl)-4-methoxy-N,4-dimethylpentan-1-amine
SMILESCNC(CCC(C)(C)OC)c1cc(Br)cc(Br)c1
InChIInChI=1S/C14H21Br2NO/c1-14(2,18-4)6-5-13(17-3)10-7-11(15)9-12(16)8-10/h7-9,13,17H,5-6H2,1-4H3
InChIKeyIHRNLXVXSROBCC-UHFFFAOYSA-N
MW379.14 g/mol
LogP4.68
Rot. Bonds6

About 1-(3,5-dibromophenyl)-4-methoxy-N,4-dimethylpentan-1-amine

1-(3,5-dibromophenyl)-4-methoxy-N,4-dimethylpentan-1-amine (PubChem CID 114023299) has the molecular formula C14H21Br2NO and a molecular weight of 379.14 g/mol. Its IUPAC name is 1-(3,5-dibromophenyl)-4-methoxy-N,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(3,5-dibromophenyl)-4-methoxy-N,4-dimethylpentan-1-amine
PubChem CID114023299
Molecular FormulaC14H21Br2NO
Molecular Weight379.14 g/mol
Exact Mass377.00
IUPAC Name1-(3,5-dibromophenyl)-4-methoxy-N,4-dimethylpentan-1-amine
SMILESCNC(CCC(C)(C)OC)c1cc(Br)cc(Br)c1
InChIInChI=1S/C14H21Br2NO/c1-14(2,18-4)6-5-13(17-3)10-7-11(15)9-12(16)8-10/h7-9,13,17H,5-6H2,1-4H3
InChIKeyIHRNLXVXSROBCC-UHFFFAOYSA-N
XLogP4.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.14
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-5-methylphenyl)-4-methoxy-N,4-dimethylpentan-1-amine
CID 103031602
1-(3-bromophenyl)-1-N,4-dimethylpentane-1,4-diamine
CID 116950243
1-(4-butoxyphenyl)-4-methoxy-N,4-dimethylpentan-1-amine
CID 103032329
1-(3-bromo-5-fluorophenyl)-4-methoxy-4-methylpentan-1-amine
CID 103031167
1-(3,5-dimethylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031318
1-(4-chloro-2-fluorophenyl)-4-methoxy-N,4-dimethylpentan-1-amine
CID 103031675
[1-(2,6-dimethyl-4-pyridinyl)-4-methoxy-4-methylpentyl]hydrazine
CID 107504862
1-(3-bromo-4-methylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031551
1-(5-bromo-3-pyridinyl)-4-methoxy-4-methylpentan-1-ol
CID 103028415
1-(3,5-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031317
[1-(3,4-dimethylphenyl)-4-methoxy-4-methylpentyl]hydrazine
CID 103026337
[1-[4-bromo-2-(trifluoromethyl)phenyl]-4-methoxy-4-methylpentyl]hydrazine
CID 103026706

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromophenyl)-4-methoxy-N,4-dimethylpentan-1-amine?
The IUPAC name of 1-(3,5-dibromophenyl)-4-methoxy-N,4-dimethylpentan-1-amine (CID 114023299) is 1-(3,5-dibromophenyl)-4-methoxy-N,4-dimethylpentan-1-amine.
What is the SMILES notation for 1-(3,5-dibromophenyl)-4-methoxy-N,4-dimethylpentan-1-amine?
The canonical SMILES for 1-(3,5-dibromophenyl)-4-methoxy-N,4-dimethylpentan-1-amine is CNC(CCC(C)(C)OC)c1cc(Br)cc(Br)c1.
What is the InChIKey of 1-(3,5-dibromophenyl)-4-methoxy-N,4-dimethylpentan-1-amine?
The InChIKey is IHRNLXVXSROBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Br2NO/c1-14(2,18-4)6-5-13(17-3)10-7-11(15)9-12(16)8-10/h7-9,13,17H,5-6H2,1-4H3.
What are the key properties of 1-(3,5-dibromophenyl)-4-methoxy-N,4-dimethylpentan-1-amine?
1-(3,5-dibromophenyl)-4-methoxy-N,4-dimethylpentan-1-amine has a molecular weight of 379.14 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromophenyl)-4-methoxy-N,4-dimethylpentan-1-amine is sourced from PubChem (CID 114023299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).