4-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N,3-dimethylaniline

C16H26N2O — CID 62135055

IUPAC4-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N,3-dimethylaniline
SMILESCOCC(C)N(C)c1ccc(CNC2CC2)c(C)c1
InChIInChI=1S/C16H26N2O/c1-12-9-16(18(3)13(2)11-19-4)8-5-14(12)10-17-15-6-7-15/h5,8-9,13,15,17H,6-7,10-11H2,1-4H3
InChIKeyTWMDWYBCIBIBFL-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.72
Rot. Bonds7

About 4-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N,3-dimethylaniline

4-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N,3-dimethylaniline (PubChem CID 62135055) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N,3-dimethylaniline.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N,3-dimethylaniline
PubChem CID62135055
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N,3-dimethylaniline
SMILESCOCC(C)N(C)c1ccc(CNC2CC2)c(C)c1
InChIInChI=1S/C16H26N2O/c1-12-9-16(18(3)13(2)11-19-4)8-5-14(12)10-17-15-6-7-15/h5,8-9,13,15,17H,6-7,10-11H2,1-4H3
InChIKeyTWMDWYBCIBIBFL-UHFFFAOYSA-N
XLogP2.72
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-N-[4-[(cyclopropylamino)methyl]-3-methylphenyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190010
4-[(cyclopropylamino)methyl]-N-ethyl-N,3-dimethylaniline
CID 62136200
4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(2-methylpropyl)aniline
CID 62134168
4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(3-methylbutyl)aniline
CID 62135574
5-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N,2-dimethylpyridin-4-amine
CID 81246951
3-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-propan-2-ylaniline
CID 114064593
N-cyclopropyl-4-[(cyclopropylamino)methyl]-3-methyl-N-(3-methylbutyl)aniline
CID 78944932
N-butyl-4-[(cyclopropylamino)methyl]-N-ethyl-3-methylaniline
CID 55039009
4-[(cyclopropylamino)methyl]-N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 62129967
N-[4-[(cyclopropylamino)methyl]-3-methylphenyl]-N-methylthiolan-3-amine
CID 55038774
N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]-N,3-dimethylanilino]acetamide
CID 62129290
4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 79310746

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N,3-dimethylaniline?
The IUPAC name of 4-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N,3-dimethylaniline (CID 62135055) is 4-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N,3-dimethylaniline.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N,3-dimethylaniline?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N,3-dimethylaniline is COCC(C)N(C)c1ccc(CNC2CC2)c(C)c1.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N,3-dimethylaniline?
The InChIKey is TWMDWYBCIBIBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-9-16(18(3)13(2)11-19-4)8-5-14(12)10-17-15-6-7-15/h5,8-9,13,15,17H,6-7,10-11H2,1-4H3.
What are the key properties of 4-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N,3-dimethylaniline?
4-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N,3-dimethylaniline has a molecular weight of 262.40 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N,3-dimethylaniline is sourced from PubChem (CID 62135055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).