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

C16H26N2O — CID 116914148

IUPAC1-[dimethylamino-(4-methoxy-2,3,5-trimethylphenyl)methyl]cyclopropan-1-amine
SMILESCOc1c(C)cc(C(N(C)C)C2(N)CC2)c(C)c1C
InChIInChI=1S/C16H26N2O/c1-10-9-13(11(2)12(3)14(10)19-6)15(18(4)5)16(17)7-8-16/h9,15H,7-8,17H2,1-6H3
InChIKeyLQVJESSAPUDTGA-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.71
Rot. Bonds4

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

1-[dimethylamino-(4-methoxy-2,3,5-trimethylphenyl)methyl]cyclopropan-1-amine (PubChem CID 116914148) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[dimethylamino-(4-methoxy-2,3,5-trimethylphenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[dimethylamino-(4-methoxy-2,3,5-trimethylphenyl)methyl]cyclopropan-1-amine
PubChem CID116914148
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[dimethylamino-(4-methoxy-2,3,5-trimethylphenyl)methyl]cyclopropan-1-amine
SMILESCOc1c(C)cc(C(N(C)C)C2(N)CC2)c(C)c1C
InChIInChI=1S/C16H26N2O/c1-10-9-13(11(2)12(3)14(10)19-6)15(18(4)5)16(17)7-8-16/h9,15H,7-8,17H2,1-6H3
InChIKeyLQVJESSAPUDTGA-UHFFFAOYSA-N
XLogP2.71
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-chloro-4-methoxy-2-methylphenyl)-(dimethylamino)methyl]cyclopropan-1-amine
CID 116914136
1-(4-methoxy-2,3,5-trimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 116904827
bromo-(4-methoxy-2,3,5-trimethylphenyl)methanamine
CID 116947618
methoxy-(4-methoxy-2,3,5-trimethylphenyl)methanamine
CID 116947288
1-(4-methoxy-2,3,5-trimethylphenyl)propane-1,3-diamine
CID 116932790
[1-(aminomethyl)cyclobutyl]-(4-methoxy-2,3,5-trimethylphenyl)methanamine
CID 116943845
(1-aminocyclopropyl)-(4-methoxy-3,5-dimethylphenyl)methanol
CID 116836231
4-(dimethylamino)-4-(4-methoxy-2,3,5-trimethylphenyl)butanenitrile
CID 116910085
1-[2-chloro-1-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-4-methoxy-2,3,5-trimethylbenzene
CID 88767616
1-methoxy-1-(4-methoxy-2,3,5-trimethylphenyl)-N-methylmethanamine
CID 116961496
[(4-methoxy-2,3,5-trimethylphenyl)-phenylmethyl]phosphane
CID 87085516
1-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutan-1-amine
CID 82297222

Frequently Asked Questions

What is the IUPAC name of 1-[dimethylamino-(4-methoxy-2,3,5-trimethylphenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[dimethylamino-(4-methoxy-2,3,5-trimethylphenyl)methyl]cyclopropan-1-amine (CID 116914148) is 1-[dimethylamino-(4-methoxy-2,3,5-trimethylphenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[dimethylamino-(4-methoxy-2,3,5-trimethylphenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[dimethylamino-(4-methoxy-2,3,5-trimethylphenyl)methyl]cyclopropan-1-amine is COc1c(C)cc(C(N(C)C)C2(N)CC2)c(C)c1C.
What is the InChIKey of 1-[dimethylamino-(4-methoxy-2,3,5-trimethylphenyl)methyl]cyclopropan-1-amine?
The InChIKey is LQVJESSAPUDTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-10-9-13(11(2)12(3)14(10)19-6)15(18(4)5)16(17)7-8-16/h9,15H,7-8,17H2,1-6H3.
What are the key properties of 1-[dimethylamino-(4-methoxy-2,3,5-trimethylphenyl)methyl]cyclopropan-1-amine?
1-[dimethylamino-(4-methoxy-2,3,5-trimethylphenyl)methyl]cyclopropan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dimethylamino-(4-methoxy-2,3,5-trimethylphenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 116914148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).