2-[(cyclopropylmethylamino)methyl]-5-methoxyaniline

C12H18N2O — CID 115413842

IUPAC2-[(cyclopropylmethylamino)methyl]-5-methoxyaniline
SMILESCOc1ccc(CNCC2CC2)c(N)c1
InChIInChI=1S/C12H18N2O/c1-15-11-5-4-10(12(13)6-11)8-14-7-9-2-3-9/h4-6,9,14H,2-3,7-8,13H2,1H3
InChIKeyKJIXDBXOFWUZFU-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.78
Rot. Bonds5

About 2-[(cyclopropylmethylamino)methyl]-5-methoxyaniline

2-[(cyclopropylmethylamino)methyl]-5-methoxyaniline (PubChem CID 115413842) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-[(cyclopropylmethylamino)methyl]-5-methoxyaniline.

Molecular Properties

Compound Name2-[(cyclopropylmethylamino)methyl]-5-methoxyaniline
PubChem CID115413842
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-[(cyclopropylmethylamino)methyl]-5-methoxyaniline
SMILESCOc1ccc(CNCC2CC2)c(N)c1
InChIInChI=1S/C12H18N2O/c1-15-11-5-4-10(12(13)6-11)8-14-7-9-2-3-9/h4-6,9,14H,2-3,7-8,13H2,1H3
InChIKeyKJIXDBXOFWUZFU-UHFFFAOYSA-N
XLogP1.78
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(cyclopropylmethylamino)methyl]-5-methoxyphenol
CID 61268390
1-(4-ethylcyclohexyl)-N-[(2-fluoro-4-methoxyphenyl)methyl]methanamine
CID 102876292
5-methoxy-2-[(2,2,2-trifluoroethylamino)methyl]aniline
CID 115413846
2-(butylaminomethyl)-5-methoxyaniline
CID 115413844
4-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 106125148
2-[(2-cyclopropylethylamino)methyl]-4-methoxyaniline
CID 115414217
3-[(cyclopropylmethylamino)methyl]naphthalen-2-amine
CID 61213693
2-[(dimethylamino)methyl]-5-methoxyaniline
CID 53407611
2-[[cyclopropylmethyl(methyl)amino]methyl]-5-methoxyaniline
CID 115413829
4-methoxy-2-[[(3-methylcyclopentyl)methylamino]methyl]phenol
CID 107411546
3-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270829
2-[(cyclopropylmethylamino)methyl]benzene-1,4-diamine
CID 22662370

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylmethylamino)methyl]-5-methoxyaniline?
The IUPAC name of 2-[(cyclopropylmethylamino)methyl]-5-methoxyaniline (CID 115413842) is 2-[(cyclopropylmethylamino)methyl]-5-methoxyaniline.
What is the SMILES notation for 2-[(cyclopropylmethylamino)methyl]-5-methoxyaniline?
The canonical SMILES for 2-[(cyclopropylmethylamino)methyl]-5-methoxyaniline is COc1ccc(CNCC2CC2)c(N)c1.
What is the InChIKey of 2-[(cyclopropylmethylamino)methyl]-5-methoxyaniline?
The InChIKey is KJIXDBXOFWUZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-15-11-5-4-10(12(13)6-11)8-14-7-9-2-3-9/h4-6,9,14H,2-3,7-8,13H2,1H3.
What are the key properties of 2-[(cyclopropylmethylamino)methyl]-5-methoxyaniline?
2-[(cyclopropylmethylamino)methyl]-5-methoxyaniline has a molecular weight of 206.29 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylmethylamino)methyl]-5-methoxyaniline is sourced from PubChem (CID 115413842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).