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

C12H17ClN2O — CID 115256482

IUPACN-[(1-aminocyclopropyl)methyl]-5-chloro-2-methoxy-N-methylaniline
SMILESCOc1ccc(Cl)cc1N(C)CC1(N)CC1
InChIInChI=1S/C12H17ClN2O/c1-15(8-12(14)5-6-12)10-7-9(13)3-4-11(10)16-2/h3-4,7H,5-6,8,14H2,1-2H3
InChIKeyRHSZTOUALOZSOP-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.28
Rot. Bonds4

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

N-[(1-aminocyclopropyl)methyl]-5-chloro-2-methoxy-N-methylaniline (PubChem CID 115256482) 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-N-methylaniline.

Molecular Properties

Compound NameN-[(1-aminocyclopropyl)methyl]-5-chloro-2-methoxy-N-methylaniline
PubChem CID115256482
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC NameN-[(1-aminocyclopropyl)methyl]-5-chloro-2-methoxy-N-methylaniline
SMILESCOc1ccc(Cl)cc1N(C)CC1(N)CC1
InChIInChI=1S/C12H17ClN2O/c1-15(8-12(14)5-6-12)10-7-9(13)3-4-11(10)16-2/h3-4,7H,5-6,8,14H2,1-2H3
InChIKeyRHSZTOUALOZSOP-UHFFFAOYSA-N
XLogP2.28
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(5-chloro-2-methoxyphenyl)-N'-methylmethanediamine
CID 115225518
N-[(1-aminocyclopropyl)methyl]-4-methoxy-N,2,3-trimethylaniline
CID 115256537
5-chloro-2-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 115257735
N-[(1-aminocyclopropyl)methyl]-4-chloro-N-methylaniline
CID 84781400
2-amino-3-(5-chloro-2-methoxy-N-methylanilino)propan-1-ol
CID 115120381
1-(1-aminocyclopropyl)-2-(5-chloro-2-methoxyphenyl)ethanone
CID 116576466
1-[3-(5-chloro-2-methoxyphenyl)propyl]cyclopropan-1-amine
CID 83912543
N-(5-chloro-2-methoxyphenyl)-N-methylcarbamoyl chloride
CID 115194462
1-[2-(4-chloro-2-methoxyphenyl)ethyl]cyclopropan-1-amine
CID 105483503
2-(1-aminocyclobutyl)-1-(5-chloro-2-methoxyphenyl)ethanone
CID 116591329
N'-(5-chloro-2-methoxyphenyl)-N'-ethylethane-1,2-diamine
CID 28772873
1-(5-chloro-2-methoxyphenyl)cyclobutan-1-amine
CID 43146587

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclopropyl)methyl]-5-chloro-2-methoxy-N-methylaniline?
The IUPAC name of N-[(1-aminocyclopropyl)methyl]-5-chloro-2-methoxy-N-methylaniline (CID 115256482) is N-[(1-aminocyclopropyl)methyl]-5-chloro-2-methoxy-N-methylaniline.
What is the SMILES notation for N-[(1-aminocyclopropyl)methyl]-5-chloro-2-methoxy-N-methylaniline?
The canonical SMILES for N-[(1-aminocyclopropyl)methyl]-5-chloro-2-methoxy-N-methylaniline is COc1ccc(Cl)cc1N(C)CC1(N)CC1.
What is the InChIKey of N-[(1-aminocyclopropyl)methyl]-5-chloro-2-methoxy-N-methylaniline?
The InChIKey is RHSZTOUALOZSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-15(8-12(14)5-6-12)10-7-9(13)3-4-11(10)16-2/h3-4,7H,5-6,8,14H2,1-2H3.
What are the key properties of N-[(1-aminocyclopropyl)methyl]-5-chloro-2-methoxy-N-methylaniline?
N-[(1-aminocyclopropyl)methyl]-5-chloro-2-methoxy-N-methylaniline has a molecular weight of 240.73 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 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-N-methylaniline is sourced from PubChem (CID 115256482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).