4-[(cyclopropylamino)methyl]-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)aniline

C18H28N2O — CID 62122414

IUPAC4-[(cyclopropylamino)methyl]-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)aniline
SMILESCCN(CC1CCCO1)c1ccc(CNC2CC2)cc1C
InChIInChI=1S/C18H28N2O/c1-3-20(13-17-5-4-10-21-17)18-9-6-15(11-14(18)2)12-19-16-7-8-16/h6,9,11,16-17,19H,3-5,7-8,10,12-13H2,1-2H3
InChIKeyMVWPHKHXAXIOOI-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.25
Rot. Bonds7

About 4-[(cyclopropylamino)methyl]-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)aniline

4-[(cyclopropylamino)methyl]-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)aniline (PubChem CID 62122414) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)aniline
PubChem CID62122414
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name4-[(cyclopropylamino)methyl]-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)aniline
SMILESCCN(CC1CCCO1)c1ccc(CNC2CC2)cc1C
InChIInChI=1S/C18H28N2O/c1-3-20(13-17-5-4-10-21-17)18-9-6-15(11-14(18)2)12-19-16-7-8-16/h6,9,11,16-17,19H,3-5,7-8,10,12-13H2,1-2H3
InChIKeyMVWPHKHXAXIOOI-UHFFFAOYSA-N
XLogP3.25
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)aniline
CID 62125297
5-[(cyclopropylamino)methyl]-N-ethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62283732
2-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 81149095
4-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N-ethyl-2-fluoroaniline
CID 63957048
N,2-dimethyl-4-[(2-methylpropylamino)methyl]-N-(oxolan-2-ylmethyl)aniline
CID 63060808
N-[[4-[[methyl(oxan-2-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62430129
N-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-N-methylcycloheptanamine
CID 63552456
1-N-ethyl-2-iodo-1-N-(oxolan-2-ylmethyl)benzene-1,4-diamine
CID 66094780
5-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 114848953
5-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]aniline
CID 114849013
N-butyl-4-[(cyclopropylamino)methyl]-N,2-dimethylaniline
CID 62120655
[4-[ethyl(oxolan-2-ylmethyl)amino]-3-nitrophenyl]methanol
CID 61434531

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)aniline?
The IUPAC name of 4-[(cyclopropylamino)methyl]-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)aniline (CID 62122414) is 4-[(cyclopropylamino)methyl]-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)aniline.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)aniline?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)aniline is CCN(CC1CCCO1)c1ccc(CNC2CC2)cc1C.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)aniline?
The InChIKey is MVWPHKHXAXIOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-20(13-17-5-4-10-21-17)18-9-6-15(11-14(18)2)12-19-16-7-8-16/h6,9,11,16-17,19H,3-5,7-8,10,12-13H2,1-2H3.
What are the key properties of 4-[(cyclopropylamino)methyl]-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)aniline?
4-[(cyclopropylamino)methyl]-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)aniline has a molecular weight of 288.44 g/mol, XLogP of 3.25, 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-ethyl-2-methyl-N-(oxolan-2-ylmethyl)aniline is sourced from PubChem (CID 62122414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).