N-[(1-aminocyclopropyl)methyl]-5-chloro-2-methoxy-3-methylaniline

C12H17ClN2O — CID 115256387

IUPACN-[(1-aminocyclopropyl)methyl]-5-chloro-2-methoxy-3-methylaniline
SMILESCOc1c(C)cc(Cl)cc1NCC1(N)CC1
InChIInChI=1S/C12H17ClN2O/c1-8-5-9(13)6-10(11(8)16-2)15-7-12(14)3-4-12/h5-6,15H,3-4,7,14H2,1-2H3
InChIKeyIUVISLKBAUISEK-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.56
Rot. Bonds4

About N-[(1-aminocyclopropyl)methyl]-5-chloro-2-methoxy-3-methylaniline

N-[(1-aminocyclopropyl)methyl]-5-chloro-2-methoxy-3-methylaniline (PubChem CID 115256387) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is N-[(1-aminocyclopropyl)methyl]-5-chloro-2-methoxy-3-methylaniline.

Molecular Properties

Compound NameN-[(1-aminocyclopropyl)methyl]-5-chloro-2-methoxy-3-methylaniline
PubChem CID115256387
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC NameN-[(1-aminocyclopropyl)methyl]-5-chloro-2-methoxy-3-methylaniline
SMILESCOc1c(C)cc(Cl)cc1NCC1(N)CC1
InChIInChI=1S/C12H17ClN2O/c1-8-5-9(13)6-10(11(8)16-2)15-7-12(14)3-4-12/h5-6,15H,3-4,7,14H2,1-2H3
InChIKeyIUVISLKBAUISEK-UHFFFAOYSA-N
XLogP2.56
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(chloromethyl)-2-methoxy-3-methylaniline
CID 115262707
N'-(5-chloro-2-methoxy-3-methylphenyl)-2,2-dimethylpropane-1,3-diamine
CID 115199813
N-(5-chloro-2-methoxy-3-methylphenyl)-2-methylbutane-1,4-diamine
CID 115202326
1-[(2,3-dimethoxy-4,6-dimethylphenyl)methyl]cyclopropan-1-amine
CID 117343091
1-(5-chloro-2-methoxy-3-methylphenyl)cyclobutan-1-amine
CID 117324614
5-(5-chloro-2-methoxy-3-methylanilino)pentan-2-one
CID 115236229
[1-[(2-methoxy-3,5-dimethylanilino)methyl]cyclopropyl]methanol
CID 115243235
1-[[(2-methoxy-3,4,6-trimethylphenyl)methylamino]methyl]cyclopropan-1-amine
CID 115256740
1-[(5-chloro-2,3-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117356301
N-[(1-aminocyclopropyl)methyl]-5-bromo-2-methylaniline
CID 115256437
1-[2-(3-methoxy-2,4,6-trimethylphenyl)ethyl]cyclopropan-1-amine
CID 105493542
3,5-dichloro-N-ethyl-2-methoxyaniline
CID 82267013

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclopropyl)methyl]-5-chloro-2-methoxy-3-methylaniline?
The IUPAC name of N-[(1-aminocyclopropyl)methyl]-5-chloro-2-methoxy-3-methylaniline (CID 115256387) is N-[(1-aminocyclopropyl)methyl]-5-chloro-2-methoxy-3-methylaniline.
What is the SMILES notation for N-[(1-aminocyclopropyl)methyl]-5-chloro-2-methoxy-3-methylaniline?
The canonical SMILES for N-[(1-aminocyclopropyl)methyl]-5-chloro-2-methoxy-3-methylaniline is COc1c(C)cc(Cl)cc1NCC1(N)CC1.
What is the InChIKey of N-[(1-aminocyclopropyl)methyl]-5-chloro-2-methoxy-3-methylaniline?
The InChIKey is IUVISLKBAUISEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-8-5-9(13)6-10(11(8)16-2)15-7-12(14)3-4-12/h5-6,15H,3-4,7,14H2,1-2H3.
What are the key properties of N-[(1-aminocyclopropyl)methyl]-5-chloro-2-methoxy-3-methylaniline?
N-[(1-aminocyclopropyl)methyl]-5-chloro-2-methoxy-3-methylaniline has a molecular weight of 240.73 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclopropyl)methyl]-5-chloro-2-methoxy-3-methylaniline is sourced from PubChem (CID 115256387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).