2-[[cyclopropylmethyl(methyl)amino]methyl]-5-methoxyaniline

C13H20N2O — CID 115413829

IUPAC2-[[cyclopropylmethyl(methyl)amino]methyl]-5-methoxyaniline
SMILESCOc1ccc(CN(C)CC2CC2)c(N)c1
InChIInChI=1S/C13H20N2O/c1-15(8-10-3-4-10)9-11-5-6-12(16-2)7-13(11)14/h5-7,10H,3-4,8-9,14H2,1-2H3
InChIKeyWXNDUGZKSZZBOY-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.12
Rot. Bonds5

About 2-[[cyclopropylmethyl(methyl)amino]methyl]-5-methoxyaniline

2-[[cyclopropylmethyl(methyl)amino]methyl]-5-methoxyaniline (PubChem CID 115413829) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-[[cyclopropylmethyl(methyl)amino]methyl]-5-methoxyaniline.

Molecular Properties

Compound Name2-[[cyclopropylmethyl(methyl)amino]methyl]-5-methoxyaniline
PubChem CID115413829
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-[[cyclopropylmethyl(methyl)amino]methyl]-5-methoxyaniline
SMILESCOc1ccc(CN(C)CC2CC2)c(N)c1
InChIInChI=1S/C13H20N2O/c1-15(8-10-3-4-10)9-11-5-6-12(16-2)7-13(11)14/h5-7,10H,3-4,8-9,14H2,1-2H3
InChIKeyWXNDUGZKSZZBOY-UHFFFAOYSA-N
XLogP2.12
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(dimethylamino)methyl]-5-methoxyaniline
CID 53407611
4-methoxy-2-[[methyl(oxan-3-ylmethyl)amino]methyl]aniline
CID 115414154
5-methoxy-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 113305265
4-methoxy-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 113305279
5-chloro-2-[[cyclopentylmethyl(methyl)amino]methyl]aniline
CID 63632089
[2-[[cyclohexylmethyl(methyl)amino]methyl]-4-methoxyphenyl]boronic acid
CID 65327680
2-[(cyclopropylmethylamino)methyl]-5-methoxyaniline
CID 115413842
3-[[cyclobutylmethyl(methyl)amino]methyl]-4-methoxyaniline
CID 62861974
N-[(2-bromo-5-methoxyphenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 65326023
3-[[cyclopentylmethyl(methyl)amino]methyl]naphthalen-2-amine
CID 63657165
5-chloro-2-[[methyl(oxan-4-ylmethyl)amino]methyl]aniline
CID 55227188
N-[(2-chloro-4-methoxyphenyl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 115208923

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropylmethyl(methyl)amino]methyl]-5-methoxyaniline?
The IUPAC name of 2-[[cyclopropylmethyl(methyl)amino]methyl]-5-methoxyaniline (CID 115413829) is 2-[[cyclopropylmethyl(methyl)amino]methyl]-5-methoxyaniline.
What is the SMILES notation for 2-[[cyclopropylmethyl(methyl)amino]methyl]-5-methoxyaniline?
The canonical SMILES for 2-[[cyclopropylmethyl(methyl)amino]methyl]-5-methoxyaniline is COc1ccc(CN(C)CC2CC2)c(N)c1.
What is the InChIKey of 2-[[cyclopropylmethyl(methyl)amino]methyl]-5-methoxyaniline?
The InChIKey is WXNDUGZKSZZBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-15(8-10-3-4-10)9-11-5-6-12(16-2)7-13(11)14/h5-7,10H,3-4,8-9,14H2,1-2H3.
What are the key properties of 2-[[cyclopropylmethyl(methyl)amino]methyl]-5-methoxyaniline?
2-[[cyclopropylmethyl(methyl)amino]methyl]-5-methoxyaniline has a molecular weight of 220.32 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropylmethyl(methyl)amino]methyl]-5-methoxyaniline is sourced from PubChem (CID 115413829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).