N-[(2,3-dimethoxyphenyl)methyl]-3-methoxycyclopentan-1-amine

C15H23NO3 — CID 103081816

IUPACN-[(2,3-dimethoxyphenyl)methyl]-3-methoxycyclopentan-1-amine
SMILESCOc1cccc(CNC2CCC(OC)C2)c1OC
InChIInChI=1S/C15H23NO3/c1-17-13-8-7-12(9-13)16-10-11-5-4-6-14(18-2)15(11)19-3/h4-6,12-13,16H,7-10H2,1-3H3
InChIKeyHNVZYHQFZAVHFD-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.36
Rot. Bonds6

About N-[(2,3-dimethoxyphenyl)methyl]-3-methoxycyclopentan-1-amine

N-[(2,3-dimethoxyphenyl)methyl]-3-methoxycyclopentan-1-amine (PubChem CID 103081816) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-3-methoxycyclopentan-1-amine.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-3-methoxycyclopentan-1-amine
PubChem CID103081816
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-3-methoxycyclopentan-1-amine
SMILESCOc1cccc(CNC2CCC(OC)C2)c1OC
InChIInChI=1S/C15H23NO3/c1-17-13-8-7-12(9-13)16-10-11-5-4-6-14(18-2)15(11)19-3/h4-6,12-13,16H,7-10H2,1-3H3
InChIKeyHNVZYHQFZAVHFD-UHFFFAOYSA-N
XLogP2.36
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 17295654
N-[(2,3-dimethoxyphenyl)methyl]cyclopentanamine;hydrobromide
CID 75531449
N-[(2,3-dimethoxyphenyl)methyl]thian-4-amine
CID 115584763
3-methoxy-N-[(2,3,4-trimethoxyphenyl)methyl]cyclobutan-1-amine
CID 104588014
N-(isoquinolin-5-ylmethyl)-3-methoxycyclopentan-1-amine
CID 103081674
N-[(2,3-dimethoxyphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 112728549
N-[[3-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine
CID 65365555
N-[(2-ethoxy-3-methoxyphenyl)methyl]cyclopentanamine
CID 4717334
3-methoxy-N-[(2-prop-2-ynoxyphenyl)methyl]cyclopentan-1-amine
CID 103081772
trans-(1S,2S)-2-[(2,3-dimethoxyphenyl)methylamino]cyclohexan-1-ol
CID 94414022
(3R)-N-[(2,3-dimethoxyphenyl)methyl]oxan-3-amine
CID 95986911
4-[(3-ethoxy-2-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 43220624

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-3-methoxycyclopentan-1-amine?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-3-methoxycyclopentan-1-amine (CID 103081816) is N-[(2,3-dimethoxyphenyl)methyl]-3-methoxycyclopentan-1-amine.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-3-methoxycyclopentan-1-amine?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-3-methoxycyclopentan-1-amine is COc1cccc(CNC2CCC(OC)C2)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-3-methoxycyclopentan-1-amine?
The InChIKey is HNVZYHQFZAVHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-17-13-8-7-12(9-13)16-10-11-5-4-6-14(18-2)15(11)19-3/h4-6,12-13,16H,7-10H2,1-3H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-3-methoxycyclopentan-1-amine?
N-[(2,3-dimethoxyphenyl)methyl]-3-methoxycyclopentan-1-amine has a molecular weight of 265.35 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-3-methoxycyclopentan-1-amine is sourced from PubChem (CID 103081816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).