N-[1-(3,4-dimethoxyphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine

C17H28N2O2 — CID 61471655

IUPACN-[1-(3,4-dimethoxyphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
SMILESCOc1ccc(C(C)NC(C)CN2CCCC2)cc1OC
InChIInChI=1S/C17H28N2O2/c1-13(12-19-9-5-6-10-19)18-14(2)15-7-8-16(20-3)17(11-15)21-4/h7-8,11,13-14,18H,5-6,9-10,12H2,1-4H3
InChIKeyKKFYWCJAVAHDGO-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.84
Rot. Bonds7

About N-[1-(3,4-dimethoxyphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine

N-[1-(3,4-dimethoxyphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine (PubChem CID 61471655) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
PubChem CID61471655
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-[1-(3,4-dimethoxyphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
SMILESCOc1ccc(C(C)NC(C)CN2CCCC2)cc1OC
InChIInChI=1S/C17H28N2O2/c1-13(12-19-9-5-6-10-19)18-14(2)15-7-8-16(20-3)17(11-15)21-4/h7-8,11,13-14,18H,5-6,9-10,12H2,1-4H3
InChIKeyKKFYWCJAVAHDGO-UHFFFAOYSA-N
XLogP2.84
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 83076160
N-[1-(4-methoxyphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749138
N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749122
1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethanol
CID 56686974
N-[1-(3,4-dimethoxyphenyl)ethyl]-1-imidazol-1-ylpropan-2-amine
CID 43749824
3-[1-(3,4-dimethoxyphenyl)ethylamino]butanenitrile
CID 61174710
N-[1-(3,4-dimethoxyphenyl)ethyl]-6-methylheptan-2-amine
CID 43111176
1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylethanamine
CID 61493746
2-[1-(3,4-dimethoxyphenyl)ethylamino]butan-1-ol
CID 43207184
1-piperidin-1-yl-N-[1-(3,4,5-trifluorophenyl)ethyl]propan-2-amine
CID 86809048
N-[1-(3-bromophenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749141
N-[1-(4-propylphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61472079

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine (CID 61471655) is N-[1-(3,4-dimethoxyphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine is COc1ccc(C(C)NC(C)CN2CCCC2)cc1OC.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine?
The InChIKey is KKFYWCJAVAHDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13(12-19-9-5-6-10-19)18-14(2)15-7-8-16(20-3)17(11-15)21-4/h7-8,11,13-14,18H,5-6,9-10,12H2,1-4H3.
What are the key properties of N-[1-(3,4-dimethoxyphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine?
N-[1-(3,4-dimethoxyphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine has a molecular weight of 292.42 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine is sourced from PubChem (CID 61471655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).