1-(4-bromophenyl)-5-methoxy-N-methylhexan-2-amine

C14H22BrNO — CID 105089113

IUPAC1-(4-bromophenyl)-5-methoxy-N-methylhexan-2-amine
SMILESCNC(CCC(C)OC)Cc1ccc(Br)cc1
InChIInChI=1S/C14H22BrNO/c1-11(17-3)4-9-14(16-2)10-12-5-7-13(15)8-6-12/h5-8,11,14,16H,4,9-10H2,1-3H3
InChIKeyAFNQUOLGWYRBEZ-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.39
Rot. Bonds7

About 1-(4-bromophenyl)-5-methoxy-N-methylhexan-2-amine

1-(4-bromophenyl)-5-methoxy-N-methylhexan-2-amine (PubChem CID 105089113) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is 1-(4-bromophenyl)-5-methoxy-N-methylhexan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-5-methoxy-N-methylhexan-2-amine
PubChem CID105089113
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC Name1-(4-bromophenyl)-5-methoxy-N-methylhexan-2-amine
SMILESCNC(CCC(C)OC)Cc1ccc(Br)cc1
InChIInChI=1S/C14H22BrNO/c1-11(17-3)4-9-14(16-2)10-12-5-7-13(15)8-6-12/h5-8,11,14,16H,4,9-10H2,1-3H3
InChIKeyAFNQUOLGWYRBEZ-UHFFFAOYSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)-5-methoxy-N-methylhexan-2-amine
CID 105136196
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CID 105137006
1-(4-bromophenyl)-4-methoxy-N-methylbutan-2-amine
CID 61064259
1-(4-bromophenyl)-N-methylpentan-2-amine
CID 60818837
4-(4-bromophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 115346323
5-methoxy-N-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-amine
CID 105123547
1-(4-bromophenyl)-N,4-dimethylhexan-2-amine
CID 62602616
1-(4-bromophenyl)-N-methylpent-4-en-2-amine
CID 61380777
6-methoxy-N-methyl-1-phenylheptan-3-amine
CID 105094085
1-(2-chloro-4-methylphenyl)-5-methoxy-N-methylhexan-2-amine
CID 106865944
1-bromo-4-(2,2-dimethoxyethyl)benzene
CID 11550515
1-(4-bromophenyl)-N-methylpent-4-yn-2-amine
CID 62234248

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-5-methoxy-N-methylhexan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-5-methoxy-N-methylhexan-2-amine (CID 105089113) is 1-(4-bromophenyl)-5-methoxy-N-methylhexan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-5-methoxy-N-methylhexan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-5-methoxy-N-methylhexan-2-amine is CNC(CCC(C)OC)Cc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-5-methoxy-N-methylhexan-2-amine?
The InChIKey is AFNQUOLGWYRBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-11(17-3)4-9-14(16-2)10-12-5-7-13(15)8-6-12/h5-8,11,14,16H,4,9-10H2,1-3H3.
What are the key properties of 1-(4-bromophenyl)-5-methoxy-N-methylhexan-2-amine?
1-(4-bromophenyl)-5-methoxy-N-methylhexan-2-amine has a molecular weight of 300.24 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-5-methoxy-N-methylhexan-2-amine is sourced from PubChem (CID 105089113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).