4-chloro-2-[(cyclopropylamino)methyl]-N,N-bis(2-methoxyethyl)aniline

C16H25ClN2O2 — CID 114848806

IUPAC4-chloro-2-[(cyclopropylamino)methyl]-N,N-bis(2-methoxyethyl)aniline
SMILESCOCCN(CCOC)c1ccc(Cl)cc1CNC1CC1
InChIInChI=1S/C16H25ClN2O2/c1-20-9-7-19(8-10-21-2)16-6-3-14(17)11-13(16)12-18-15-4-5-15/h3,6,11,15,18H,4-5,7-10,12H2,1-2H3
InChIKeyAAJOCQCTYMRQAJ-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.69
Rot. Bonds10

About 4-chloro-2-[(cyclopropylamino)methyl]-N,N-bis(2-methoxyethyl)aniline

4-chloro-2-[(cyclopropylamino)methyl]-N,N-bis(2-methoxyethyl)aniline (PubChem CID 114848806) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 4-chloro-2-[(cyclopropylamino)methyl]-N,N-bis(2-methoxyethyl)aniline.

Molecular Properties

Compound Name4-chloro-2-[(cyclopropylamino)methyl]-N,N-bis(2-methoxyethyl)aniline
PubChem CID114848806
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name4-chloro-2-[(cyclopropylamino)methyl]-N,N-bis(2-methoxyethyl)aniline
SMILESCOCCN(CCOC)c1ccc(Cl)cc1CNC1CC1
InChIInChI=1S/C16H25ClN2O2/c1-20-9-7-19(8-10-21-2)16-6-3-14(17)11-13(16)12-18-15-4-5-15/h3,6,11,15,18H,4-5,7-10,12H2,1-2H3
InChIKeyAAJOCQCTYMRQAJ-UHFFFAOYSA-N
XLogP2.69
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[4-chloro-2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 114850409
2-(aminomethyl)-4-chloro-N,N-bis(2-methoxyethyl)aniline
CID 62493985
N-butyl-4-chloro-2-[(cyclopropylamino)methyl]-N-methylaniline
CID 114847398
1-[4-chloro-2-[(cyclopropylamino)methyl]-N-ethylanilino]-2-methylpropan-2-ol
CID 114852410
5-bromo-2-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methoxyethyl)aniline
CID 61447057
4-chloro-2-[(cyclopropylamino)methyl]-N-(3-fluorophenyl)-N-methylaniline
CID 114850525
N-[[5-chloro-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine
CID 65365706
N-[[5-chloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 103177541
5-[4-chloro-2-[(cyclopropylamino)methyl]-N-methylanilino]pentan-1-ol
CID 107201198
4-chloro-2-[(cyclopropylamino)methyl]-N-ethyl-N-(thiophen-2-ylmethyl)aniline
CID 114849046
5-bromo-2-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 82959718
5-chloro-2-(chloromethyl)-N,N-bis(2-methoxyethyl)aniline
CID 114846465

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(cyclopropylamino)methyl]-N,N-bis(2-methoxyethyl)aniline?
The IUPAC name of 4-chloro-2-[(cyclopropylamino)methyl]-N,N-bis(2-methoxyethyl)aniline (CID 114848806) is 4-chloro-2-[(cyclopropylamino)methyl]-N,N-bis(2-methoxyethyl)aniline.
What is the SMILES notation for 4-chloro-2-[(cyclopropylamino)methyl]-N,N-bis(2-methoxyethyl)aniline?
The canonical SMILES for 4-chloro-2-[(cyclopropylamino)methyl]-N,N-bis(2-methoxyethyl)aniline is COCCN(CCOC)c1ccc(Cl)cc1CNC1CC1.
What is the InChIKey of 4-chloro-2-[(cyclopropylamino)methyl]-N,N-bis(2-methoxyethyl)aniline?
The InChIKey is AAJOCQCTYMRQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O2/c1-20-9-7-19(8-10-21-2)16-6-3-14(17)11-13(16)12-18-15-4-5-15/h3,6,11,15,18H,4-5,7-10,12H2,1-2H3.
What are the key properties of 4-chloro-2-[(cyclopropylamino)methyl]-N,N-bis(2-methoxyethyl)aniline?
4-chloro-2-[(cyclopropylamino)methyl]-N,N-bis(2-methoxyethyl)aniline has a molecular weight of 312.84 g/mol, XLogP of 2.69, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(cyclopropylamino)methyl]-N,N-bis(2-methoxyethyl)aniline is sourced from PubChem (CID 114848806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).