1-[(3-chloro-4-methoxy-2,5,6-trimethylphenyl)methyl]cyclopropan-1-amine

C14H20ClNO — CID 117116102

IUPAC1-[(3-chloro-4-methoxy-2,5,6-trimethylphenyl)methyl]cyclopropan-1-amine
SMILESCOc1c(C)c(C)c(CC2(N)CC2)c(C)c1Cl
InChIInChI=1S/C14H20ClNO/c1-8-9(2)13(17-4)12(15)10(3)11(8)7-14(16)5-6-14/h5-7,16H2,1-4H3
InChIKeyDALATYSFSFKKSD-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.31
Rot. Bonds3

About 1-[(3-chloro-4-methoxy-2,5,6-trimethylphenyl)methyl]cyclopropan-1-amine

1-[(3-chloro-4-methoxy-2,5,6-trimethylphenyl)methyl]cyclopropan-1-amine (PubChem CID 117116102) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 1-[(3-chloro-4-methoxy-2,5,6-trimethylphenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(3-chloro-4-methoxy-2,5,6-trimethylphenyl)methyl]cyclopropan-1-amine
PubChem CID117116102
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name1-[(3-chloro-4-methoxy-2,5,6-trimethylphenyl)methyl]cyclopropan-1-amine
SMILESCOc1c(C)c(C)c(CC2(N)CC2)c(C)c1Cl
InChIInChI=1S/C14H20ClNO/c1-8-9(2)13(17-4)12(15)10(3)11(8)7-14(16)5-6-14/h5-7,16H2,1-4H3
InChIKeyDALATYSFSFKKSD-UHFFFAOYSA-N
XLogP3.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-methoxy-2,5,6-trimethylphenyl)acetonitrile
CID 115110965
3-[(1-aminocyclopropyl)methyl]-2-chloro-4,5-dimethoxyphenol
CID 117397604
1-[(3-chloro-2-methoxy-4-methylphenyl)methyl]cyclopropan-1-amine
CID 117324499
1-[(2-chloro-3,4-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 66783478
1-[(2,3-dimethoxy-4,6-dimethylphenyl)methyl]cyclopropan-1-amine
CID 117343091
1-[(6-bromo-2-methoxy-3-methylphenyl)methyl]cyclopropan-1-amine
CID 117428483
1-[(2,6-difluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine
CID 117303787
1-chloro-4-methoxy-3-(methoxymethyl)-2,5,6-trimethylbenzene
CID 116932279
1-[(5-bromo-2,4-dimethoxy-3-methylphenyl)methyl]cyclopropan-1-amine
CID 117483351
1-[(5-chloro-2,3-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117356301
1,3-dichloro-2-ethyl-4,5,6-trimethoxybenzene
CID 134197646
N-[(1-aminocyclopropyl)methyl]-5-chloro-2-methoxy-3-methylaniline
CID 115256387

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-methoxy-2,5,6-trimethylphenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(3-chloro-4-methoxy-2,5,6-trimethylphenyl)methyl]cyclopropan-1-amine (CID 117116102) is 1-[(3-chloro-4-methoxy-2,5,6-trimethylphenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(3-chloro-4-methoxy-2,5,6-trimethylphenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(3-chloro-4-methoxy-2,5,6-trimethylphenyl)methyl]cyclopropan-1-amine is COc1c(C)c(C)c(CC2(N)CC2)c(C)c1Cl.
What is the InChIKey of 1-[(3-chloro-4-methoxy-2,5,6-trimethylphenyl)methyl]cyclopropan-1-amine?
The InChIKey is DALATYSFSFKKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-8-9(2)13(17-4)12(15)10(3)11(8)7-14(16)5-6-14/h5-7,16H2,1-4H3.
What are the key properties of 1-[(3-chloro-4-methoxy-2,5,6-trimethylphenyl)methyl]cyclopropan-1-amine?
1-[(3-chloro-4-methoxy-2,5,6-trimethylphenyl)methyl]cyclopropan-1-amine has a molecular weight of 253.77 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-methoxy-2,5,6-trimethylphenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 117116102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).