3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline

C16H23ClN2O — CID 61431824

IUPAC3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline
SMILESCN(CC1CCCO1)c1cccc(Cl)c1CNC1CC1
InChIInChI=1S/C16H23ClN2O/c1-19(11-13-4-3-9-20-13)16-6-2-5-15(17)14(16)10-18-12-7-8-12/h2,5-6,12-13,18H,3-4,7-11H2,1H3
InChIKeyRFVZIGUVTYUDJF-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.21
Rot. Bonds6

About 3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline

3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline (PubChem CID 61431824) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline.

Molecular Properties

Compound Name3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline
PubChem CID61431824
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline
SMILESCN(CC1CCCO1)c1cccc(Cl)c1CNC1CC1
InChIInChI=1S/C16H23ClN2O/c1-19(11-13-4-3-9-20-13)16-6-2-5-15(17)14(16)10-18-12-7-8-12/h2,5-6,12-13,18H,3-4,7-11H2,1H3
InChIKeyRFVZIGUVTYUDJF-UHFFFAOYSA-N
XLogP3.21
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-chloro-6-[methyl(oxolan-2-ylmethyl)amino]phenyl]methanol
CID 61432390
2-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 81149095
3-chloro-N-(cyclohexylmethyl)-2-[(cyclopropylamino)methyl]-N-methylaniline
CID 63552294
[2-chloro-6-[methyl(oxan-2-ylmethyl)amino]phenyl]methanol
CID 61431905
2-(bromomethyl)-3-chloro-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 107081245
5-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 114848953
3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-propylaniline
CID 43281893
5-chloro-6-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62293193
3-chloro-N-cyclopropyl-2-[(cyclopropylamino)methyl]-N-methylaniline
CID 43281657
3-chloro-2-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N-methylaniline
CID 43527133
2-[3-chloro-2-[(cyclopropylamino)methyl]-N-methylanilino]-N,N-dimethylacetamide
CID 43375220
N-methyl-2-(methylaminomethyl)-N-(oxolan-2-ylmethyl)aniline
CID 61431971

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline?
The IUPAC name of 3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline (CID 61431824) is 3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline.
What is the SMILES notation for 3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline?
The canonical SMILES for 3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline is CN(CC1CCCO1)c1cccc(Cl)c1CNC1CC1.
What is the InChIKey of 3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline?
The InChIKey is RFVZIGUVTYUDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-19(11-13-4-3-9-20-13)16-6-2-5-15(17)14(16)10-18-12-7-8-12/h2,5-6,12-13,18H,3-4,7-11H2,1H3.
What are the key properties of 3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline?
3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline has a molecular weight of 294.83 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline is sourced from PubChem (CID 61431824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).