2-[(cyclopropylmethylamino)methyl]-N-methylaniline

C12H18N2 — CID 106703472

IUPAC2-[(cyclopropylmethylamino)methyl]-N-methylaniline
SMILESCNc1ccccc1CNCC1CC1
InChIInChI=1S/C12H18N2/c1-13-12-5-3-2-4-11(12)9-14-8-10-6-7-10/h2-5,10,13-14H,6-9H2,1H3
InChIKeyCFBCZTMNCWDGHD-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.23
Rot. Bonds5

About 2-[(cyclopropylmethylamino)methyl]-N-methylaniline

2-[(cyclopropylmethylamino)methyl]-N-methylaniline (PubChem CID 106703472) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-[(cyclopropylmethylamino)methyl]-N-methylaniline.

Molecular Properties

Compound Name2-[(cyclopropylmethylamino)methyl]-N-methylaniline
PubChem CID106703472
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name2-[(cyclopropylmethylamino)methyl]-N-methylaniline
SMILESCNc1ccccc1CNCC1CC1
InChIInChI=1S/C12H18N2/c1-13-12-5-3-2-4-11(12)9-14-8-10-6-7-10/h2-5,10,13-14H,6-9H2,1H3
InChIKeyCFBCZTMNCWDGHD-UHFFFAOYSA-N
XLogP2.23
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(4-tert-butylcyclohexyl)methylamino]methyl]phenol
CID 114331599
N-methyl-2-(methylaminomethyl)aniline
CID 576504
2-[(cyclopentylmethylamino)methyl]phenol
CID 43370918
N-[(2-bromophenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
CID 63451692
4-[[(2-methylphenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 5019663
methyl 2-[2-[[(4-hydroxycyclohexyl)methylamino]methyl]phenyl]acetate
CID 106133501
3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]cyclopentan-1-ol
CID 114146215
2-[(piperidin-4-ylmethylamino)methyl]phenol
CID 114331586
1-cyclopropyl-N-[(2,3-difluorophenyl)methyl]methanamine
CID 43658793
N-(cyclopropylmethyl)-2-[(dimethylamino)methyl]aniline
CID 43750217
1-cyclopropyl-N-[(2-pyrimidin-2-ylphenyl)methyl]methanamine
CID 173207711
3-[[(4-ethylcyclohexyl)methylamino]methyl]benzene-1,2-diol
CID 61317881

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylmethylamino)methyl]-N-methylaniline?
The IUPAC name of 2-[(cyclopropylmethylamino)methyl]-N-methylaniline (CID 106703472) is 2-[(cyclopropylmethylamino)methyl]-N-methylaniline.
What is the SMILES notation for 2-[(cyclopropylmethylamino)methyl]-N-methylaniline?
The canonical SMILES for 2-[(cyclopropylmethylamino)methyl]-N-methylaniline is CNc1ccccc1CNCC1CC1.
What is the InChIKey of 2-[(cyclopropylmethylamino)methyl]-N-methylaniline?
The InChIKey is CFBCZTMNCWDGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-13-12-5-3-2-4-11(12)9-14-8-10-6-7-10/h2-5,10,13-14H,6-9H2,1H3.
What are the key properties of 2-[(cyclopropylmethylamino)methyl]-N-methylaniline?
2-[(cyclopropylmethylamino)methyl]-N-methylaniline has a molecular weight of 190.29 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylmethylamino)methyl]-N-methylaniline is sourced from PubChem (CID 106703472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).