N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine

C16H24ClNO2 — CID 79357920

IUPACN-[(3-chloro-4,5-dimethoxyphenyl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
SMILESCOc1cc(CNC2C(C)(C)C2(C)C)cc(Cl)c1OC
InChIInChI=1S/C16H24ClNO2/c1-15(2)14(16(15,3)4)18-9-10-7-11(17)13(20-6)12(8-10)19-5/h7-8,14,18H,9H2,1-6H3
InChIKeyNFOMIXQTDIHUMS-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.88
Rot. Bonds5

About N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine

N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine (PubChem CID 79357920) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-4,5-dimethoxyphenyl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
PubChem CID79357920
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC NameN-[(3-chloro-4,5-dimethoxyphenyl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
SMILESCOc1cc(CNC2C(C)(C)C2(C)C)cc(Cl)c1OC
InChIInChI=1S/C16H24ClNO2/c1-15(2)14(16(15,3)4)18-9-10-7-11(17)13(20-6)12(8-10)19-5/h7-8,14,18H,9H2,1-6H3
InChIKeyNFOMIXQTDIHUMS-UHFFFAOYSA-N
XLogP3.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclohexanamine
CID 834342
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 6457206
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-methylpiperidin-4-amine
CID 43223600
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-methoxycyclopentan-1-amine
CID 103081610
3-[(3-chloro-4,5-dimethoxyphenyl)methylamino]cyclohexan-1-ol
CID 43792280
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43792571
(1R,2S)-1-[(3-chloro-4,5-dimethoxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 47814882
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80601705
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-2,2-dimethoxyethanamine
CID 60657416
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 7458136
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]butan-2-amine;hydrochloride
CID 17292333
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904164

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine?
The IUPAC name of N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine (CID 79357920) is N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine.
What is the SMILES notation for N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine?
The canonical SMILES for N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine is COc1cc(CNC2C(C)(C)C2(C)C)cc(Cl)c1OC.
What is the InChIKey of N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine?
The InChIKey is NFOMIXQTDIHUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-15(2)14(16(15,3)4)18-9-10-7-11(17)13(20-6)12(8-10)19-5/h7-8,14,18H,9H2,1-6H3.
What are the key properties of N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine?
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine has a molecular weight of 297.83 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine is sourced from PubChem (CID 79357920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).