2-(aminomethyl)-6-chloro-N-(2-methoxyethyl)-N-propan-2-ylaniline

C13H21ClN2O — CID 114068782

IUPAC2-(aminomethyl)-6-chloro-N-(2-methoxyethyl)-N-propan-2-ylaniline
SMILESCOCCN(c1c(Cl)cccc1CN)C(C)C
InChIInChI=1S/C13H21ClN2O/c1-10(2)16(7-8-17-3)13-11(9-15)5-4-6-12(13)14/h4-6,10H,7-9,15H2,1-3H3
InChIKeyBGLAUJSPXNFDBH-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.66
Rot. Bonds6

About 2-(aminomethyl)-6-chloro-N-(2-methoxyethyl)-N-propan-2-ylaniline

2-(aminomethyl)-6-chloro-N-(2-methoxyethyl)-N-propan-2-ylaniline (PubChem CID 114068782) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 2-(aminomethyl)-6-chloro-N-(2-methoxyethyl)-N-propan-2-ylaniline.

Molecular Properties

Compound Name2-(aminomethyl)-6-chloro-N-(2-methoxyethyl)-N-propan-2-ylaniline
PubChem CID114068782
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name2-(aminomethyl)-6-chloro-N-(2-methoxyethyl)-N-propan-2-ylaniline
SMILESCOCCN(c1c(Cl)cccc1CN)C(C)C
InChIInChI=1S/C13H21ClN2O/c1-10(2)16(7-8-17-3)13-11(9-15)5-4-6-12(13)14/h4-6,10H,7-9,15H2,1-3H3
InChIKeyBGLAUJSPXNFDBH-UHFFFAOYSA-N
XLogP2.66
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-3-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
CID 107055721
2-chloro-6-[[2-methoxyethyl(propan-2-yl)amino]methyl]phenol
CID 112616395
2-chloro-6-(chloromethyl)-N,N-bis(2-methoxyethyl)aniline
CID 114067710
4-(aminomethyl)-3-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
CID 62944699
3-chloro-N-(2-methoxyethyl)-2-nitro-N-propan-2-ylaniline
CID 113459326
4-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-3-amine
CID 82948054
2-[2-(aminomethyl)-6-chlorophenoxy]-N-(2-methoxyethyl)propanamide
CID 112607554
3-(2-aminoethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
CID 114057477
2-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 82960379
2-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82948468
1-(2-chloro-6-fluorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82948279
4,6-dichloro-N-(2-methoxyethyl)-N-propan-2-yl-1,3,5-triazin-2-amine
CID 82961053

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-chloro-N-(2-methoxyethyl)-N-propan-2-ylaniline?
The IUPAC name of 2-(aminomethyl)-6-chloro-N-(2-methoxyethyl)-N-propan-2-ylaniline (CID 114068782) is 2-(aminomethyl)-6-chloro-N-(2-methoxyethyl)-N-propan-2-ylaniline.
What is the SMILES notation for 2-(aminomethyl)-6-chloro-N-(2-methoxyethyl)-N-propan-2-ylaniline?
The canonical SMILES for 2-(aminomethyl)-6-chloro-N-(2-methoxyethyl)-N-propan-2-ylaniline is COCCN(c1c(Cl)cccc1CN)C(C)C.
What is the InChIKey of 2-(aminomethyl)-6-chloro-N-(2-methoxyethyl)-N-propan-2-ylaniline?
The InChIKey is BGLAUJSPXNFDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-10(2)16(7-8-17-3)13-11(9-15)5-4-6-12(13)14/h4-6,10H,7-9,15H2,1-3H3.
What are the key properties of 2-(aminomethyl)-6-chloro-N-(2-methoxyethyl)-N-propan-2-ylaniline?
2-(aminomethyl)-6-chloro-N-(2-methoxyethyl)-N-propan-2-ylaniline has a molecular weight of 256.78 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6-chloro-N-(2-methoxyethyl)-N-propan-2-ylaniline is sourced from PubChem (CID 114068782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).