N-(3,5-dimethoxyphenyl)pyrrolidin-3-amine;ethane

C14H24N2O2 — CID 176696090

IUPACN-(3,5-dimethoxyphenyl)pyrrolidin-3-amine;ethane
SMILESCC.COc1cc(NC2CCNC2)cc(OC)c1
InChIInChI=1S/C12H18N2O2.C2H6/c1-15-11-5-10(6-12(7-11)16-2)14-9-3-4-13-8-9;1-2/h5-7,9,13-14H,3-4,8H2,1-2H3;1-2H3
InChIKeyWSHVZMBBPIQNQR-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.50
Rot. Bonds4

About N-(3,5-dimethoxyphenyl)pyrrolidin-3-amine;ethane

N-(3,5-dimethoxyphenyl)pyrrolidin-3-amine;ethane (PubChem CID 176696090) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)pyrrolidin-3-amine;ethane.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)pyrrolidin-3-amine;ethane
PubChem CID176696090
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-(3,5-dimethoxyphenyl)pyrrolidin-3-amine;ethane
SMILESCC.COc1cc(NC2CCNC2)cc(OC)c1
InChIInChI=1S/C12H18N2O2.C2H6/c1-15-11-5-10(6-12(7-11)16-2)14-9-3-4-13-8-9;1-2/h5-7,9,13-14H,3-4,8H2,1-2H3;1-2H3
InChIKeyWSHVZMBBPIQNQR-UHFFFAOYSA-N
XLogP2.50
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4,6-trimethoxyphenyl)pyrrolidin-3-amine
CID 115118637
3,5-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119967317
(3R)-N-(4-chloro-3-methoxyphenyl)pyrrolidin-3-amine
CID 155923260
[4-(3,5-dimethoxyanilino)piperidin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
CID 119898008
N-[3-(2-methoxyethoxy)phenyl]pyrrolidin-3-amine
CID 79731567
N-(4-methylphenyl)pyrrolidin-3-amine
CID 68925011
N-(6-methoxynaphthalen-2-yl)piperidin-4-amine
CID 115118397
6-(4-methoxyphenyl)-2-methyl-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 82191981
1-(3-methoxyphenyl)-3-pyrrolidin-3-ylurea
CID 61310941
3,5-dimethoxy-N-(3-propan-2-ylcyclobutyl)aniline
CID 103560756
N-(3,5-dimethoxyphenyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103739089
3,5-dimethoxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119424226

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)pyrrolidin-3-amine;ethane?
The IUPAC name of N-(3,5-dimethoxyphenyl)pyrrolidin-3-amine;ethane (CID 176696090) is N-(3,5-dimethoxyphenyl)pyrrolidin-3-amine;ethane.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)pyrrolidin-3-amine;ethane?
The canonical SMILES for N-(3,5-dimethoxyphenyl)pyrrolidin-3-amine;ethane is CC.COc1cc(NC2CCNC2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)pyrrolidin-3-amine;ethane?
The InChIKey is WSHVZMBBPIQNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2.C2H6/c1-15-11-5-10(6-12(7-11)16-2)14-9-3-4-13-8-9;1-2/h5-7,9,13-14H,3-4,8H2,1-2H3;1-2H3.
What are the key properties of N-(3,5-dimethoxyphenyl)pyrrolidin-3-amine;ethane?
N-(3,5-dimethoxyphenyl)pyrrolidin-3-amine;ethane has a molecular weight of 252.36 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)pyrrolidin-3-amine;ethane is sourced from PubChem (CID 176696090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).