N-[[5-bromo-2-[2-(dimethylamino)ethoxy]-3-methylphenyl]methyl]propan-2-amine

C15H25BrN2O — CID 112620327

IUPACN-[[5-bromo-2-[2-(dimethylamino)ethoxy]-3-methylphenyl]methyl]propan-2-amine
SMILESCc1cc(Br)cc(CNC(C)C)c1OCCN(C)C
InChIInChI=1S/C15H25BrN2O/c1-11(2)17-10-13-9-14(16)8-12(3)15(13)19-7-6-18(4)5/h8-9,11,17H,6-7,10H2,1-5H3
InChIKeySDQOOVSNOIMOEO-UHFFFAOYSA-N
MW329.28 g/mol
LogP3.20
Rot. Bonds7

About N-[[5-bromo-2-[2-(dimethylamino)ethoxy]-3-methylphenyl]methyl]propan-2-amine

N-[[5-bromo-2-[2-(dimethylamino)ethoxy]-3-methylphenyl]methyl]propan-2-amine (PubChem CID 112620327) has the molecular formula C15H25BrN2O and a molecular weight of 329.28 g/mol. Its IUPAC name is N-[[5-bromo-2-[2-(dimethylamino)ethoxy]-3-methylphenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-bromo-2-[2-(dimethylamino)ethoxy]-3-methylphenyl]methyl]propan-2-amine
PubChem CID112620327
Molecular FormulaC15H25BrN2O
Molecular Weight329.28 g/mol
Exact Mass328.12
IUPAC NameN-[[5-bromo-2-[2-(dimethylamino)ethoxy]-3-methylphenyl]methyl]propan-2-amine
SMILESCc1cc(Br)cc(CNC(C)C)c1OCCN(C)C
InChIInChI=1S/C15H25BrN2O/c1-11(2)17-10-13-9-14(16)8-12(3)15(13)19-7-6-18(4)5/h8-9,11,17H,6-7,10H2,1-5H3
InChIKeySDQOOVSNOIMOEO-UHFFFAOYSA-N
XLogP3.20
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-bromo-2-(4-methoxybutoxy)-3-methylphenyl]methyl]propan-2-amine
CID 104647191
4-[4-bromo-2-methyl-6-[(propan-2-ylamino)methyl]phenoxy]butanenitrile
CID 112620359
N-[[5-bromo-3-methyl-2-(2-propoxyethoxy)phenyl]methyl]propan-2-amine
CID 106450662
N-[(5-bromo-3-methyl-2-pent-3-ynoxyphenyl)methyl]propan-2-amine
CID 104805532
5-[4-bromo-2-methyl-6-[(propan-2-ylamino)methyl]phenoxy]pentanenitrile
CID 115961450
N-[[5-bromo-2-(ethoxymethoxy)-3-methylphenyl]methyl]propan-2-amine
CID 112620351
N-[[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methyl]propan-2-amine
CID 43277624
N-[(5-bromo-3-methyl-2-prop-2-ynoxyphenyl)methyl]propan-2-amine
CID 112620365
N-[[5-bromo-2-(cyclopropylmethoxy)-3-methylphenyl]methyl]propan-2-amine
CID 112620322
N-[[5-bromo-3-methyl-2-(pyridin-4-ylmethoxy)phenyl]methyl]propan-2-amine
CID 115961429
1-[4-bromo-2-methyl-6-[(propan-2-ylamino)methyl]phenoxy]-3-ethoxypropan-2-ol
CID 115961442
N-[(5-bromo-2-cyclohexyloxy-3-methylphenyl)methyl]propan-2-amine
CID 115961427

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-[2-(dimethylamino)ethoxy]-3-methylphenyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-bromo-2-[2-(dimethylamino)ethoxy]-3-methylphenyl]methyl]propan-2-amine (CID 112620327) is N-[[5-bromo-2-[2-(dimethylamino)ethoxy]-3-methylphenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-bromo-2-[2-(dimethylamino)ethoxy]-3-methylphenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-bromo-2-[2-(dimethylamino)ethoxy]-3-methylphenyl]methyl]propan-2-amine is Cc1cc(Br)cc(CNC(C)C)c1OCCN(C)C.
What is the InChIKey of N-[[5-bromo-2-[2-(dimethylamino)ethoxy]-3-methylphenyl]methyl]propan-2-amine?
The InChIKey is SDQOOVSNOIMOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2O/c1-11(2)17-10-13-9-14(16)8-12(3)15(13)19-7-6-18(4)5/h8-9,11,17H,6-7,10H2,1-5H3.
What are the key properties of N-[[5-bromo-2-[2-(dimethylamino)ethoxy]-3-methylphenyl]methyl]propan-2-amine?
N-[[5-bromo-2-[2-(dimethylamino)ethoxy]-3-methylphenyl]methyl]propan-2-amine has a molecular weight of 329.28 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-[2-(dimethylamino)ethoxy]-3-methylphenyl]methyl]propan-2-amine is sourced from PubChem (CID 112620327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).