2-(aminomethyl)-4-chloro-N,N-bis(2-methoxyethyl)aniline

C13H21ClN2O2 — CID 62493985

IUPAC2-(aminomethyl)-4-chloro-N,N-bis(2-methoxyethyl)aniline
SMILESCOCCN(CCOC)c1ccc(Cl)cc1CN
InChIInChI=1S/C13H21ClN2O2/c1-17-7-5-16(6-8-18-2)13-4-3-12(14)9-11(13)10-15/h3-4,9H,5-8,10,15H2,1-2H3
InChIKeySLBNHGTZPDHYGF-UHFFFAOYSA-N
MW272.78 g/mol
LogP1.90
Rot. Bonds8

About 2-(aminomethyl)-4-chloro-N,N-bis(2-methoxyethyl)aniline

2-(aminomethyl)-4-chloro-N,N-bis(2-methoxyethyl)aniline (PubChem CID 62493985) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 2-(aminomethyl)-4-chloro-N,N-bis(2-methoxyethyl)aniline.

Molecular Properties

Compound Name2-(aminomethyl)-4-chloro-N,N-bis(2-methoxyethyl)aniline
PubChem CID62493985
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC Name2-(aminomethyl)-4-chloro-N,N-bis(2-methoxyethyl)aniline
SMILESCOCCN(CCOC)c1ccc(Cl)cc1CN
InChIInChI=1S/C13H21ClN2O2/c1-17-7-5-16(6-8-18-2)13-4-3-12(14)9-11(13)10-15/h3-4,9H,5-8,10,15H2,1-2H3
InChIKeySLBNHGTZPDHYGF-UHFFFAOYSA-N
XLogP1.90
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)-4-chloro-N-(2-hydroxyethyl)anilino]ethanol
CID 62493136
4-chloro-2-[(cyclopropylamino)methyl]-N,N-bis(2-methoxyethyl)aniline
CID 114848806
5-chloro-2-(chloromethyl)-N,N-bis(2-methoxyethyl)aniline
CID 114846465
2-[2-(aminomethyl)-4-bromo-N-(2-methoxyethyl)anilino]ethanol
CID 114889791
2-[bis(2-methoxyethyl)amino]-5-chlorobenzamide
CID 139902291
4-(2-aminoethyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline
CID 81166238
2-(2-aminobutyl)-5-chloro-N,N-bis(2-methoxyethyl)aniline
CID 114861459
2-(aminomethyl)-5-bromo-N,N-bis(2-methoxyethyl)aniline
CID 61418446
2-[2-(aminomethyl)-N-(2-amino-2-oxoethyl)-4-chloroanilino]acetamide
CID 62923094
2-(3-chlorophenyl)-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine
CID 18371415
4-(aminomethyl)-3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 55152229
2-(aminomethyl)-4-chloro-N-methyl-N-(2-methylphenyl)aniline
CID 62493495

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-chloro-N,N-bis(2-methoxyethyl)aniline?
The IUPAC name of 2-(aminomethyl)-4-chloro-N,N-bis(2-methoxyethyl)aniline (CID 62493985) is 2-(aminomethyl)-4-chloro-N,N-bis(2-methoxyethyl)aniline.
What is the SMILES notation for 2-(aminomethyl)-4-chloro-N,N-bis(2-methoxyethyl)aniline?
The canonical SMILES for 2-(aminomethyl)-4-chloro-N,N-bis(2-methoxyethyl)aniline is COCCN(CCOC)c1ccc(Cl)cc1CN.
What is the InChIKey of 2-(aminomethyl)-4-chloro-N,N-bis(2-methoxyethyl)aniline?
The InChIKey is SLBNHGTZPDHYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O2/c1-17-7-5-16(6-8-18-2)13-4-3-12(14)9-11(13)10-15/h3-4,9H,5-8,10,15H2,1-2H3.
What are the key properties of 2-(aminomethyl)-4-chloro-N,N-bis(2-methoxyethyl)aniline?
2-(aminomethyl)-4-chloro-N,N-bis(2-methoxyethyl)aniline has a molecular weight of 272.78 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-chloro-N,N-bis(2-methoxyethyl)aniline is sourced from PubChem (CID 62493985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).