2-(3-bromophenoxy)-N-(cyclohexylmethyl)-N-methylethanamine

C16H24BrNO — CID 63458650

IUPAC2-(3-bromophenoxy)-N-(cyclohexylmethyl)-N-methylethanamine
SMILESCN(CCOc1cccc(Br)c1)CC1CCCCC1
InChIInChI=1S/C16H24BrNO/c1-18(13-14-6-3-2-4-7-14)10-11-19-16-9-5-8-15(17)12-16/h5,8-9,12,14H,2-4,6-7,10-11,13H2,1H3
InChIKeyXMLIKQKSOFTMSV-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.34
Rot. Bonds6

About 2-(3-bromophenoxy)-N-(cyclohexylmethyl)-N-methylethanamine

2-(3-bromophenoxy)-N-(cyclohexylmethyl)-N-methylethanamine (PubChem CID 63458650) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-(cyclohexylmethyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-(cyclohexylmethyl)-N-methylethanamine
PubChem CID63458650
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name2-(3-bromophenoxy)-N-(cyclohexylmethyl)-N-methylethanamine
SMILESCN(CCOc1cccc(Br)c1)CC1CCCCC1
InChIInChI=1S/C16H24BrNO/c1-18(13-14-6-3-2-4-7-14)10-11-19-16-9-5-8-15(17)12-16/h5,8-9,12,14H,2-4,6-7,10-11,13H2,1H3
InChIKeyXMLIKQKSOFTMSV-UHFFFAOYSA-N
XLogP4.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(aminomethyl)phenoxy]-N-(cyclopentylmethyl)-N-methylethanamine
CID 63631386
3-[2-[cyclopentylmethyl(methyl)amino]ethoxy]benzohydrazide
CID 63657559
2-[3-(aminomethyl)phenoxy]-N-(cyclopropylmethyl)-N-methylethanamine
CID 54898422
1-bromo-3-[2-(cyclopentylmethoxy)ethoxy]benzene
CID 66321596
1-[2-(3-bromophenoxy)ethyl-methylamino]propan-2-ol
CID 55061080
3-[2-[cyclopropylmethyl(methyl)amino]ethoxy]benzenecarbothioamide
CID 54884258
1-(3-bromophenyl)-3-[cyclohexylmethyl(methyl)amino]propan-1-ol
CID 62618495
N-[(3-bromophenyl)methyl]-1-cyclopentyl-N-methylmethanamine
CID 55151680
2-[2-(3-bromophenoxy)ethyl-methylamino]acetic acid
CID 43442338
2-(3-chlorophenoxy)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine
CID 103815664
N-[2-(3-bromophenoxy)ethyl]-N-(3-methylbutyl)cyclopropanamine
CID 78943956
3-[3-[cyclobutylmethyl(methyl)amino]propoxy]benzoic acid
CID 63073190

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-(cyclohexylmethyl)-N-methylethanamine?
The IUPAC name of 2-(3-bromophenoxy)-N-(cyclohexylmethyl)-N-methylethanamine (CID 63458650) is 2-(3-bromophenoxy)-N-(cyclohexylmethyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-bromophenoxy)-N-(cyclohexylmethyl)-N-methylethanamine?
The canonical SMILES for 2-(3-bromophenoxy)-N-(cyclohexylmethyl)-N-methylethanamine is CN(CCOc1cccc(Br)c1)CC1CCCCC1.
What is the InChIKey of 2-(3-bromophenoxy)-N-(cyclohexylmethyl)-N-methylethanamine?
The InChIKey is XMLIKQKSOFTMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-18(13-14-6-3-2-4-7-14)10-11-19-16-9-5-8-15(17)12-16/h5,8-9,12,14H,2-4,6-7,10-11,13H2,1H3.
What are the key properties of 2-(3-bromophenoxy)-N-(cyclohexylmethyl)-N-methylethanamine?
2-(3-bromophenoxy)-N-(cyclohexylmethyl)-N-methylethanamine has a molecular weight of 326.28 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-(cyclohexylmethyl)-N-methylethanamine is sourced from PubChem (CID 63458650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).