4-(2-aminoethyl)-2-chloro-N-methyl-N-(oxan-2-ylmethyl)aniline

C15H23ClN2O — CID 81165783

IUPAC4-(2-aminoethyl)-2-chloro-N-methyl-N-(oxan-2-ylmethyl)aniline
SMILESCN(CC1CCCCO1)c1ccc(CCN)cc1Cl
InChIInChI=1S/C15H23ClN2O/c1-18(11-13-4-2-3-9-19-13)15-6-5-12(7-8-17)10-14(15)16/h5-6,10,13H,2-4,7-9,11,17H2,1H3
InChIKeyYYXXPJGXXFXFSW-UHFFFAOYSA-N
MW282.82 g/mol
LogP2.85
Rot. Bonds5

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

4-(2-aminoethyl)-2-chloro-N-methyl-N-(oxan-2-ylmethyl)aniline (PubChem CID 81165783) has the molecular formula C15H23ClN2O and a molecular weight of 282.82 g/mol. Its IUPAC name is 4-(2-aminoethyl)-2-chloro-N-methyl-N-(oxan-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-(2-aminoethyl)-2-chloro-N-methyl-N-(oxan-2-ylmethyl)aniline
PubChem CID81165783
Molecular FormulaC15H23ClN2O
Molecular Weight282.82 g/mol
Exact Mass282.15
IUPAC Name4-(2-aminoethyl)-2-chloro-N-methyl-N-(oxan-2-ylmethyl)aniline
SMILESCN(CC1CCCCO1)c1ccc(CCN)cc1Cl
InChIInChI=1S/C15H23ClN2O/c1-18(11-13-4-2-3-9-19-13)15-6-5-12(7-8-17)10-14(15)16/h5-6,10,13H,2-4,7-9,11,17H2,1H3
InChIKeyYYXXPJGXXFXFSW-UHFFFAOYSA-N
XLogP2.85
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 81149095
4-chloro-N-methyl-2-(methylaminomethyl)-N-(oxan-2-ylmethyl)aniline
CID 114848966
3-N,4-dimethyl-3-N-(oxan-2-ylmethyl)benzene-1,3-diamine
CID 55091165
2-chloro-4-[(2-methoxyethylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 81147210
5-amino-2-[methyl(oxan-2-ylmethyl)amino]benzonitrile
CID 61431148
4-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 43591832
4-(2-aminopropyl)-N,2-dimethyl-N-(oxan-2-ylmethyl)aniline
CID 63794010
5-chloro-2-[methyl(oxan-2-ylmethyl)amino]benzenecarboximidamide
CID 62493777
2-(2-aminoethyl)-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 63787027
1-N-methyl-1-N-(oxan-2-ylmethyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 61431772
4-(bromomethyl)-2-fluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 107081234
6-(2-aminoethyl)-N,2-dimethyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 56718429

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-2-chloro-N-methyl-N-(oxan-2-ylmethyl)aniline?
The IUPAC name of 4-(2-aminoethyl)-2-chloro-N-methyl-N-(oxan-2-ylmethyl)aniline (CID 81165783) is 4-(2-aminoethyl)-2-chloro-N-methyl-N-(oxan-2-ylmethyl)aniline.
What is the SMILES notation for 4-(2-aminoethyl)-2-chloro-N-methyl-N-(oxan-2-ylmethyl)aniline?
The canonical SMILES for 4-(2-aminoethyl)-2-chloro-N-methyl-N-(oxan-2-ylmethyl)aniline is CN(CC1CCCCO1)c1ccc(CCN)cc1Cl.
What is the InChIKey of 4-(2-aminoethyl)-2-chloro-N-methyl-N-(oxan-2-ylmethyl)aniline?
The InChIKey is YYXXPJGXXFXFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-18(11-13-4-2-3-9-19-13)15-6-5-12(7-8-17)10-14(15)16/h5-6,10,13H,2-4,7-9,11,17H2,1H3.
What are the key properties of 4-(2-aminoethyl)-2-chloro-N-methyl-N-(oxan-2-ylmethyl)aniline?
4-(2-aminoethyl)-2-chloro-N-methyl-N-(oxan-2-ylmethyl)aniline has a molecular weight of 282.82 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-2-chloro-N-methyl-N-(oxan-2-ylmethyl)aniline is sourced from PubChem (CID 81165783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).