2-(1-aminoethyl)-4-bromo-N-methyl-N-(oxan-2-ylmethyl)aniline

C15H23BrN2O — CID 82971512

IUPAC2-(1-aminoethyl)-4-bromo-N-methyl-N-(oxan-2-ylmethyl)aniline
SMILESCC(N)c1cc(Br)ccc1N(C)CC1CCCCO1
InChIInChI=1S/C15H23BrN2O/c1-11(17)14-9-12(16)6-7-15(14)18(2)10-13-5-3-4-8-19-13/h6-7,9,11,13H,3-5,8,10,17H2,1-2H3
InChIKeyUXFCVHLLUSUCLR-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.47
Rot. Bonds4

About 2-(1-aminoethyl)-4-bromo-N-methyl-N-(oxan-2-ylmethyl)aniline

2-(1-aminoethyl)-4-bromo-N-methyl-N-(oxan-2-ylmethyl)aniline (PubChem CID 82971512) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 2-(1-aminoethyl)-4-bromo-N-methyl-N-(oxan-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-(1-aminoethyl)-4-bromo-N-methyl-N-(oxan-2-ylmethyl)aniline
PubChem CID82971512
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name2-(1-aminoethyl)-4-bromo-N-methyl-N-(oxan-2-ylmethyl)aniline
SMILESCC(N)c1cc(Br)ccc1N(C)CC1CCCCO1
InChIInChI=1S/C15H23BrN2O/c1-11(17)14-9-12(16)6-7-15(14)18(2)10-13-5-3-4-8-19-13/h6-7,9,11,13H,3-5,8,10,17H2,1-2H3
InChIKeyUXFCVHLLUSUCLR-UHFFFAOYSA-N
XLogP3.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminoethyl)-4-bromo-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 82972442
4-bromo-2-[methyl(oxan-2-ylmethyl)amino]benzonitrile
CID 114901540
5-bromo-N-methyl-N-(oxan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]aniline
CID 61432414
4-(2-aminopropyl)-N,2-dimethyl-N-(oxan-2-ylmethyl)aniline
CID 63794010
2-(1-aminoethyl)-4-bromo-N-cyclopentyl-N-methylaniline
CID 82972417
4-bromo-2-[1-[methyl(oxolan-2-ylmethyl)amino]ethyl]phenol
CID 82979140
5-amino-2-[methyl(oxan-2-ylmethyl)amino]benzonitrile
CID 61431148
2-(1-aminoethyl)-3-fluoro-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 61432188
2-bromo-3-fluoro-4-[methyl(oxan-2-ylmethyl)amino]benzonitrile
CID 107533332
2-(1-aminoethyl)-4-bromo-N-[2-(cyclopropylmethoxy)ethyl]-N-methylaniline
CID 82968262
2-(1-aminoethyl)-5-[methyl(oxolan-2-ylmethyl)amino]phenol
CID 79603547
6-bromo-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine
CID 133271711

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-4-bromo-N-methyl-N-(oxan-2-ylmethyl)aniline?
The IUPAC name of 2-(1-aminoethyl)-4-bromo-N-methyl-N-(oxan-2-ylmethyl)aniline (CID 82971512) is 2-(1-aminoethyl)-4-bromo-N-methyl-N-(oxan-2-ylmethyl)aniline.
What is the SMILES notation for 2-(1-aminoethyl)-4-bromo-N-methyl-N-(oxan-2-ylmethyl)aniline?
The canonical SMILES for 2-(1-aminoethyl)-4-bromo-N-methyl-N-(oxan-2-ylmethyl)aniline is CC(N)c1cc(Br)ccc1N(C)CC1CCCCO1.
What is the InChIKey of 2-(1-aminoethyl)-4-bromo-N-methyl-N-(oxan-2-ylmethyl)aniline?
The InChIKey is UXFCVHLLUSUCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-11(17)14-9-12(16)6-7-15(14)18(2)10-13-5-3-4-8-19-13/h6-7,9,11,13H,3-5,8,10,17H2,1-2H3.
What are the key properties of 2-(1-aminoethyl)-4-bromo-N-methyl-N-(oxan-2-ylmethyl)aniline?
2-(1-aminoethyl)-4-bromo-N-methyl-N-(oxan-2-ylmethyl)aniline has a molecular weight of 327.27 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-4-bromo-N-methyl-N-(oxan-2-ylmethyl)aniline is sourced from PubChem (CID 82971512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).