4-[(dimethylamino)methyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)aniline

C21H29N3 — CID 110452328

IUPAC4-[(dimethylamino)methyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)aniline
SMILESCN(C)Cc1ccc(NCC(c2ccccc2)N2CCCC2)cc1
InChIInChI=1S/C21H29N3/c1-23(2)17-18-10-12-20(13-11-18)22-16-21(24-14-6-7-15-24)19-8-4-3-5-9-19/h3-5,8-13,21-22H,6-7,14-17H2,1-2H3
InChIKeyIHQQFMAQWKLFED-UHFFFAOYSA-N
MW323.48 g/mol
LogP4.00
Rot. Bonds7

About 4-[(dimethylamino)methyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)aniline

4-[(dimethylamino)methyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)aniline (PubChem CID 110452328) has the molecular formula C21H29N3 and a molecular weight of 323.48 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)aniline.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)aniline
PubChem CID110452328
Molecular FormulaC21H29N3
Molecular Weight323.48 g/mol
Exact Mass323.24
IUPAC Name4-[(dimethylamino)methyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)aniline
SMILESCN(C)Cc1ccc(NCC(c2ccccc2)N2CCCC2)cc1
InChIInChI=1S/C21H29N3/c1-23(2)17-18-10-12-20(13-11-18)22-16-21(24-14-6-7-15-24)19-8-4-3-5-9-19/h3-5,8-13,21-22H,6-7,14-17H2,1-2H3
InChIKeyIHQQFMAQWKLFED-UHFFFAOYSA-N
XLogP4.00
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyridin-4-amine
CID 82538556
N-ethyl-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 43180882
1-(3,3-dimethyl-1-phenylbutyl)pyrrolidine
CID 58442316
N-(2-phenyl-2-pyrrolidin-1-ylethyl)propan-1-amine
CID 43202060
1-[(1R)-1-phenylpropyl]azepane
CID 97315480
3,3-dimethyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butan-1-amine
CID 60694080
N-[2-(azocan-1-yl)propyl]aniline
CID 62558695
1-[5-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydroindol-1-yl]ethanone
CID 110452337
2-(dimethylamino)-2-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 47839657
1-[3-[(4-methoxycarbonylphenyl)methyl-sulfinoamino]-1-phenylpropyl]pyrrolidine
CID 175126809
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylguanidine;hydroiodide
CID 111291390
1-[[4-(2-methoxyethylamino)phenyl]methyl]-2-methyl-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111326851

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)aniline?
The IUPAC name of 4-[(dimethylamino)methyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)aniline (CID 110452328) is 4-[(dimethylamino)methyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)aniline.
What is the SMILES notation for 4-[(dimethylamino)methyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)aniline?
The canonical SMILES for 4-[(dimethylamino)methyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)aniline is CN(C)Cc1ccc(NCC(c2ccccc2)N2CCCC2)cc1.
What is the InChIKey of 4-[(dimethylamino)methyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)aniline?
The InChIKey is IHQQFMAQWKLFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3/c1-23(2)17-18-10-12-20(13-11-18)22-16-21(24-14-6-7-15-24)19-8-4-3-5-9-19/h3-5,8-13,21-22H,6-7,14-17H2,1-2H3.
What are the key properties of 4-[(dimethylamino)methyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)aniline?
4-[(dimethylamino)methyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)aniline has a molecular weight of 323.48 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)aniline is sourced from PubChem (CID 110452328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).