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

C16H25NO3 — CID 43317257

IUPAC1-cyclopentyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
SMILESCOc1cc(OC)c(OC)cc1CNCC1CCCC1
InChIInChI=1S/C16H25NO3/c1-18-14-9-16(20-3)15(19-2)8-13(14)11-17-10-12-6-4-5-7-12/h8-9,12,17H,4-7,10-11H2,1-3H3
InChIKeyBJXWQXOESFXNBS-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.99
Rot. Bonds7

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

1-cyclopentyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine (PubChem CID 43317257) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
PubChem CID43317257
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-cyclopentyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
SMILESCOc1cc(OC)c(OC)cc1CNCC1CCCC1
InChIInChI=1S/C16H25NO3/c1-18-14-9-16(20-3)15(19-2)8-13(14)11-17-10-12-6-4-5-7-12/h8-9,12,17H,4-7,10-11H2,1-3H3
InChIKeyBJXWQXOESFXNBS-UHFFFAOYSA-N
XLogP2.99
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclobutyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
CID 43298524
N-cyclopentyloxy-1-(2,4,5-trimethoxyphenyl)methanamine
CID 83228531
1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]methanamine
CID 43317290
N-[(2,4,5-trimethoxyphenyl)methyl]cycloheptanamine
CID 787242
N-[(2,4,5-trimethoxyphenyl)methyl]cycloheptanamine;hydrobromide
CID 75531363
1-cyclopentyl-N-[(2-methoxy-5-nitrophenyl)methyl]methanamine
CID 43371036
N'-cyclopentyl-N'-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine
CID 119127207
1-[[(2,4,5-trimethoxyphenyl)methylamino]methyl]cyclobutan-1-ol
CID 115621533
4-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 106125148
(2S)-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-ol
CID 51434639
3-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699903
N-methyl-N'-[(2,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine
CID 113405170

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine?
The IUPAC name of 1-cyclopentyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine (CID 43317257) is 1-cyclopentyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-cyclopentyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine?
The canonical SMILES for 1-cyclopentyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine is COc1cc(OC)c(OC)cc1CNCC1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine?
The InChIKey is BJXWQXOESFXNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-18-14-9-16(20-3)15(19-2)8-13(14)11-17-10-12-6-4-5-7-12/h8-9,12,17H,4-7,10-11H2,1-3H3.
What are the key properties of 1-cyclopentyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine?
1-cyclopentyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine has a molecular weight of 279.38 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine is sourced from PubChem (CID 43317257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).