1,1-dicyclopropyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine

C17H25NO3 — CID 28660596

IUPAC1,1-dicyclopropyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
SMILESCOc1cc(OC)c(OC)cc1CNC(C1CC1)C1CC1
InChIInChI=1S/C17H25NO3/c1-19-14-9-16(21-3)15(20-2)8-13(14)10-18-17(11-4-5-11)12-6-7-12/h8-9,11-12,17-18H,4-7,10H2,1-3H3
InChIKeyPSYGYGXUHYQEDO-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.99
Rot. Bonds8

About 1,1-dicyclopropyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine

1,1-dicyclopropyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine (PubChem CID 28660596) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1,1-dicyclopropyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1,1-dicyclopropyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
PubChem CID28660596
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name1,1-dicyclopropyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
SMILESCOc1cc(OC)c(OC)cc1CNC(C1CC1)C1CC1
InChIInChI=1S/C17H25NO3/c1-19-14-9-16(21-3)15(20-2)8-13(14)10-18-17(11-4-5-11)12-6-7-12/h8-9,11-12,17-18H,4-7,10H2,1-3H3
InChIKeyPSYGYGXUHYQEDO-UHFFFAOYSA-N
XLogP2.99
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromo-2-methoxyphenyl)methyl]-1,1-dicyclopropylmethanamine
CID 43088568
3,3-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]butan-2-amine
CID 115623175
2-[(dicyclopropylmethylamino)methyl]-5-methoxyphenol
CID 61268211
N-[(2,4,5-trimethoxyphenyl)methyl]cycloheptanamine
CID 787242
1-cyclobutyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
CID 43298524
2-methyl-3-[(2,4,5-trimethoxyphenyl)methylamino]butan-1-ol
CID 115644564
1-cyclopentyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
CID 43317257
N-[(2,4,5-trimethoxyphenyl)methyl]thiolan-3-amine
CID 103603314
N-[(2,4,5-trimethoxyphenyl)methyl]cycloheptanamine;hydrobromide
CID 75531363
(2R)-2-[(2,4,5-trimethoxyphenyl)methylamino]butan-1-ol
CID 40726834
N-cyclopentyloxy-1-(2,4,5-trimethoxyphenyl)methanamine
CID 83228531
1-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]ethanamine
CID 43400133

Frequently Asked Questions

What is the IUPAC name of 1,1-dicyclopropyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine?
The IUPAC name of 1,1-dicyclopropyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine (CID 28660596) is 1,1-dicyclopropyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1,1-dicyclopropyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine?
The canonical SMILES for 1,1-dicyclopropyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine is COc1cc(OC)c(OC)cc1CNC(C1CC1)C1CC1.
What is the InChIKey of 1,1-dicyclopropyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine?
The InChIKey is PSYGYGXUHYQEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-19-14-9-16(21-3)15(20-2)8-13(14)10-18-17(11-4-5-11)12-6-7-12/h8-9,11-12,17-18H,4-7,10H2,1-3H3.
What are the key properties of 1,1-dicyclopropyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine?
1,1-dicyclopropyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine has a molecular weight of 291.39 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dicyclopropyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine is sourced from PubChem (CID 28660596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).