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

C14H23BrN2O — CID 43277624

IUPACN-[[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(Br)ccc1OCCN(C)C
InChIInChI=1S/C14H23BrN2O/c1-11(2)16-10-12-9-13(15)5-6-14(12)18-8-7-17(3)4/h5-6,9,11,16H,7-8,10H2,1-4H3
InChIKeyVKFAWYARANNIQI-UHFFFAOYSA-N
MW315.26 g/mol
LogP2.89
Rot. Bonds7

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

N-[[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methyl]propan-2-amine (PubChem CID 43277624) has the molecular formula C14H23BrN2O and a molecular weight of 315.26 g/mol. Its IUPAC name is N-[[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methyl]propan-2-amine
PubChem CID43277624
Molecular FormulaC14H23BrN2O
Molecular Weight315.26 g/mol
Exact Mass314.10
IUPAC NameN-[[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(Br)ccc1OCCN(C)C
InChIInChI=1S/C14H23BrN2O/c1-11(2)16-10-12-9-13(15)5-6-14(12)18-8-7-17(3)4/h5-6,9,11,16H,7-8,10H2,1-4H3
InChIKeyVKFAWYARANNIQI-UHFFFAOYSA-N
XLogP2.89
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]methyl]propan-2-amine
CID 55204171
N-[(5-bromo-2-propoxyphenyl)methyl]propan-2-amine
CID 29224796
2-[[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methylamino]ethanol
CID 39317876
N-[[5-bromo-2-(3-methoxypropoxy)phenyl]methyl]propan-2-amine
CID 54935872
3-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]-N-propan-2-ylpropanamide
CID 62624298
N-[(5-bromo-2-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 2992441
N-[[5-bromo-2-[2-(dimethylamino)ethoxy]-3-methylphenyl]methyl]propan-2-amine
CID 112620327
N-[[5-bromo-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 61493104
(1R)-1-[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]ethanamine
CID 63367823
2-(4-bromo-2-methylphenoxy)-N,N-dimethylethanamine
CID 20679125
N-[(5-bromo-2-propoxyphenyl)methyl]-2-methylpentan-3-amine
CID 63453722
3-[4-bromo-3-[(propan-2-ylamino)methyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 114524882

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methyl]propan-2-amine (CID 43277624) is N-[[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methyl]propan-2-amine is CC(C)NCc1cc(Br)ccc1OCCN(C)C.
What is the InChIKey of N-[[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methyl]propan-2-amine?
The InChIKey is VKFAWYARANNIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O/c1-11(2)16-10-12-9-13(15)5-6-14(12)18-8-7-17(3)4/h5-6,9,11,16H,7-8,10H2,1-4H3.
What are the key properties of N-[[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methyl]propan-2-amine?
N-[[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methyl]propan-2-amine has a molecular weight of 315.26 g/mol, XLogP of 2.89, 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]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 43277624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).