1-(3-ethoxyphenyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine

C17H29N3O — CID 79303043

IUPAC1-(3-ethoxyphenyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
SMILESCCOc1cccc(C(CN)N(C)CC2CCCN2C)c1
InChIInChI=1S/C17H29N3O/c1-4-21-16-9-5-7-14(11-16)17(12-18)20(3)13-15-8-6-10-19(15)2/h5,7,9,11,15,17H,4,6,8,10,12-13,18H2,1-3H3
InChIKeyXDSZDSUJTVDPEW-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.11
Rot. Bonds7

About 1-(3-ethoxyphenyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine

1-(3-ethoxyphenyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine (PubChem CID 79303043) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
PubChem CID79303043
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name1-(3-ethoxyphenyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
SMILESCCOc1cccc(C(CN)N(C)CC2CCCN2C)c1
InChIInChI=1S/C17H29N3O/c1-4-21-16-9-5-7-14(11-16)17(12-18)20(3)13-15-8-6-10-19(15)2/h5,7,9,11,15,17H,4,6,8,10,12-13,18H2,1-3H3
InChIKeyXDSZDSUJTVDPEW-UHFFFAOYSA-N
XLogP2.11
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopentylmethyl)-1-(3-ethoxyphenyl)-N-methylethane-1,2-diamine
CID 63632101
1-(4-ethylphenyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 79303979
1-(3,5-dimethylphenyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 79303428
1-(3-bromo-4-methoxyphenyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 79303265
1-(5-ethylfuran-2-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 79303093
1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 79303102
N,N'-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1-phenylethane-1,2-diamine
CID 79313149
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 115990041
1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 83088852
1-(3-ethoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 60874089
3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-3-phenylpropanoic acid
CID 79317422
1-(3-ethoxyphenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 60871994

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine?
The IUPAC name of 1-(3-ethoxyphenyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine (CID 79303043) is 1-(3-ethoxyphenyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for 1-(3-ethoxyphenyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for 1-(3-ethoxyphenyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine is CCOc1cccc(C(CN)N(C)CC2CCCN2C)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine?
The InChIKey is XDSZDSUJTVDPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-21-16-9-5-7-14(11-16)17(12-18)20(3)13-15-8-6-10-19(15)2/h5,7,9,11,15,17H,4,6,8,10,12-13,18H2,1-3H3.
What are the key properties of 1-(3-ethoxyphenyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine?
1-(3-ethoxyphenyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine has a molecular weight of 291.44 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 79303043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).