2-[1-[[(3,4-dimethoxy-2-pyridinyl)methylamino]methyl]cyclopropyl]ethanol

C14H22N2O3 — CID 103172793

IUPAC2-[1-[[(3,4-dimethoxy-2-pyridinyl)methylamino]methyl]cyclopropyl]ethanol
SMILESCOc1ccnc(CNCC2(CCO)CC2)c1OC
InChIInChI=1S/C14H22N2O3/c1-18-12-3-7-16-11(13(12)19-2)9-15-10-14(4-5-14)6-8-17/h3,7,15,17H,4-6,8-10H2,1-2H3
InChIKeyNJUCFRPXAUTNLU-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.35
Rot. Bonds8

About 2-[1-[[(3,4-dimethoxy-2-pyridinyl)methylamino]methyl]cyclopropyl]ethanol

2-[1-[[(3,4-dimethoxy-2-pyridinyl)methylamino]methyl]cyclopropyl]ethanol (PubChem CID 103172793) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[1-[[(3,4-dimethoxy-2-pyridinyl)methylamino]methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[1-[[(3,4-dimethoxy-2-pyridinyl)methylamino]methyl]cyclopropyl]ethanol
PubChem CID103172793
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[1-[[(3,4-dimethoxy-2-pyridinyl)methylamino]methyl]cyclopropyl]ethanol
SMILESCOc1ccnc(CNCC2(CCO)CC2)c1OC
InChIInChI=1S/C14H22N2O3/c1-18-12-3-7-16-11(13(12)19-2)9-15-10-14(4-5-14)6-8-17/h3,7,15,17H,4-6,8-10H2,1-2H3
InChIKeyNJUCFRPXAUTNLU-UHFFFAOYSA-N
XLogP1.35
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3,4-dimethoxy-2-pyridinyl)methylamino]propan-1-ol
CID 103172250
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-methylcyclopropan-1-amine
CID 103172752
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylprop-2-en-1-amine
CID 103172790
1-(3,4-dimethoxy-2-pyridinyl)-N-methoxymethanamine
CID 103172527
2-[1-[[(3-chloro-4,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]ethanol
CID 114750331
2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]-6-methoxyphenol
CID 114750189
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(3-ethyl-2-pyridinyl)methanamine
CID 103172673
N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline
CID 103172115
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(4-methylphenyl)methanamine
CID 103172192
4-[(3,4-dimethoxy-2-pyridinyl)methylamino]butanamide
CID 103172274
2-chloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]pentan-1-amine
CID 103174030
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106045547

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(3,4-dimethoxy-2-pyridinyl)methylamino]methyl]cyclopropyl]ethanol?
The IUPAC name of 2-[1-[[(3,4-dimethoxy-2-pyridinyl)methylamino]methyl]cyclopropyl]ethanol (CID 103172793) is 2-[1-[[(3,4-dimethoxy-2-pyridinyl)methylamino]methyl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[1-[[(3,4-dimethoxy-2-pyridinyl)methylamino]methyl]cyclopropyl]ethanol?
The canonical SMILES for 2-[1-[[(3,4-dimethoxy-2-pyridinyl)methylamino]methyl]cyclopropyl]ethanol is COc1ccnc(CNCC2(CCO)CC2)c1OC.
What is the InChIKey of 2-[1-[[(3,4-dimethoxy-2-pyridinyl)methylamino]methyl]cyclopropyl]ethanol?
The InChIKey is NJUCFRPXAUTNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-18-12-3-7-16-11(13(12)19-2)9-15-10-14(4-5-14)6-8-17/h3,7,15,17H,4-6,8-10H2,1-2H3.
What are the key properties of 2-[1-[[(3,4-dimethoxy-2-pyridinyl)methylamino]methyl]cyclopropyl]ethanol?
2-[1-[[(3,4-dimethoxy-2-pyridinyl)methylamino]methyl]cyclopropyl]ethanol has a molecular weight of 266.34 g/mol, XLogP of 1.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(3,4-dimethoxy-2-pyridinyl)methylamino]methyl]cyclopropyl]ethanol is sourced from PubChem (CID 103172793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).