N-[1-(aminomethyl)cyclopropyl]-3-methoxy-N-methylaniline

C12H18N2O — CID 106661172

IUPACN-[1-(aminomethyl)cyclopropyl]-3-methoxy-N-methylaniline
SMILESCOc1cccc(N(C)C2(CN)CC2)c1
InChIInChI=1S/C12H18N2O/c1-14(12(9-13)6-7-12)10-4-3-5-11(8-10)15-2/h3-5,8H,6-7,9,13H2,1-2H3
InChIKeyLVKPRQRWWCFNAI-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.62
Rot. Bonds4

About N-[1-(aminomethyl)cyclopropyl]-3-methoxy-N-methylaniline

N-[1-(aminomethyl)cyclopropyl]-3-methoxy-N-methylaniline (PubChem CID 106661172) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopropyl]-3-methoxy-N-methylaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopropyl]-3-methoxy-N-methylaniline
PubChem CID106661172
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-[1-(aminomethyl)cyclopropyl]-3-methoxy-N-methylaniline
SMILESCOc1cccc(N(C)C2(CN)CC2)c1
InChIInChI=1S/C12H18N2O/c1-14(12(9-13)6-7-12)10-4-3-5-11(8-10)15-2/h3-5,8H,6-7,9,13H2,1-2H3
InChIKeyLVKPRQRWWCFNAI-UHFFFAOYSA-N
XLogP1.62
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-3-methoxy-N-methylaniline
CID 64751072
1-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopropan-1-amine
CID 106661100
N-[1-(aminomethyl)-2,5-dimethylcyclohexyl]-3-methoxy-N-methylaniline
CID 64762934
2-[1-(aminomethyl)cyclohexyl]-N-(3-methoxyphenyl)-N-methylacetamide
CID 104678092
1-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopentan-1-amine
CID 61420272
2-hydroxy-N-(3-methoxyphenyl)-N-methylacetamide
CID 70581132
8-(aminomethyl)-N-methyl-N-phenylspiro[4.5]decan-8-amine
CID 114818000
N-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-4-methoxy-N-methylaniline
CID 63464881
N-ethyl-3-methoxy-N-methylaniline
CID 67357774
[1-(3-methoxyphenoxy)cyclopropyl]methanamine
CID 83920742
3-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methyloxolan-3-amine
CID 63335498
1-(aminomethyl)-N-(4-methoxyphenyl)-N,4-dimethylcycloheptan-1-amine
CID 65085251

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopropyl]-3-methoxy-N-methylaniline?
The IUPAC name of N-[1-(aminomethyl)cyclopropyl]-3-methoxy-N-methylaniline (CID 106661172) is N-[1-(aminomethyl)cyclopropyl]-3-methoxy-N-methylaniline.
What is the SMILES notation for N-[1-(aminomethyl)cyclopropyl]-3-methoxy-N-methylaniline?
The canonical SMILES for N-[1-(aminomethyl)cyclopropyl]-3-methoxy-N-methylaniline is COc1cccc(N(C)C2(CN)CC2)c1.
What is the InChIKey of N-[1-(aminomethyl)cyclopropyl]-3-methoxy-N-methylaniline?
The InChIKey is LVKPRQRWWCFNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-14(12(9-13)6-7-12)10-4-3-5-11(8-10)15-2/h3-5,8H,6-7,9,13H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)cyclopropyl]-3-methoxy-N-methylaniline?
N-[1-(aminomethyl)cyclopropyl]-3-methoxy-N-methylaniline has a molecular weight of 206.29 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopropyl]-3-methoxy-N-methylaniline is sourced from PubChem (CID 106661172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).