1-(2,3-dimethylphenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine

C19H32N2 — CID 79051428

IUPAC1-(2,3-dimethylphenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine
SMILESCCCNC(c1cccc(C)c1C)C(C)(C)N1CCCC1
InChIInChI=1S/C19H32N2/c1-6-12-20-18(17-11-9-10-15(2)16(17)3)19(4,5)21-13-7-8-14-21/h9-11,18,20H,6-8,12-14H2,1-5H3
InChIKeyDKQFTPJLDNPEOU-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.22
Rot. Bonds6

About 1-(2,3-dimethylphenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine

1-(2,3-dimethylphenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine (PubChem CID 79051428) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine
PubChem CID79051428
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-(2,3-dimethylphenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine
SMILESCCCNC(c1cccc(C)c1C)C(C)(C)N1CCCC1
InChIInChI=1S/C19H32N2/c1-6-12-20-18(17-11-9-10-15(2)16(17)3)19(4,5)21-13-7-8-14-21/h9-11,18,20H,6-8,12-14H2,1-5H3
InChIKeyDKQFTPJLDNPEOU-UHFFFAOYSA-N
XLogP4.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azepan-1-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine
CID 79051839
2-(azepan-1-yl)-2-methyl-N-propyl-1-thiophen-2-ylpropan-1-amine
CID 79052153
1-(2,3-dimethylphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol
CID 79056113
1-(2,5-difluorophenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine
CID 79051292
1-(2,3-dimethylphenyl)-2-ethoxy-2-ethyl-N-propylbutan-1-amine
CID 116760306
1-(4-bromothiophen-3-yl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine
CID 79602355
1-(4-methoxyphenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine
CID 79051291
2-(azepan-1-yl)-N,2-dimethyl-1-(2-methylphenyl)propan-1-amine
CID 79052644
2-methyl-N-propyl-1-pyrimidin-5-yl-2-pyrrolidin-1-ylpropan-1-amine
CID 79045060
1-(cyclohepten-1-yl)-2-methyl-2-piperidin-1-yl-N-propylpropan-1-amine
CID 106653570
2-(azepan-1-yl)-N-ethyl-2-methyl-1-(2-methylthiophen-3-yl)propan-1-amine
CID 102833059
N-[(3-chloro-2-methylphenyl)-(2,3-dimethylphenyl)methyl]propan-1-amine
CID 107102258

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of 1-(2,3-dimethylphenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine (CID 79051428) is 1-(2,3-dimethylphenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine is CCCNC(c1cccc(C)c1C)C(C)(C)N1CCCC1.
What is the InChIKey of 1-(2,3-dimethylphenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is DKQFTPJLDNPEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-6-12-20-18(17-11-9-10-15(2)16(17)3)19(4,5)21-13-7-8-14-21/h9-11,18,20H,6-8,12-14H2,1-5H3.
What are the key properties of 1-(2,3-dimethylphenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine?
1-(2,3-dimethylphenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 79051428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).