3-[4-[2-(4-pyrrolidin-1-ylphenyl)ethyl]phenyl]prop-1-en-2-amine

C21H26N2 — CID 118185239

IUPAC3-[4-[2-(4-pyrrolidin-1-ylphenyl)ethyl]phenyl]prop-1-en-2-amine
SMILESC=C(N)Cc1ccc(CCc2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C21H26N2/c1-17(22)16-20-8-6-18(7-9-20)4-5-19-10-12-21(13-11-19)23-14-2-3-15-23/h6-13H,1-5,14-16,22H2
InChIKeyVNBSSWFOLLBGSL-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.09
Rot. Bonds6

About 3-[4-[2-(4-pyrrolidin-1-ylphenyl)ethyl]phenyl]prop-1-en-2-amine

3-[4-[2-(4-pyrrolidin-1-ylphenyl)ethyl]phenyl]prop-1-en-2-amine (PubChem CID 118185239) has the molecular formula C21H26N2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 3-[4-[2-(4-pyrrolidin-1-ylphenyl)ethyl]phenyl]prop-1-en-2-amine.

Molecular Properties

Compound Name3-[4-[2-(4-pyrrolidin-1-ylphenyl)ethyl]phenyl]prop-1-en-2-amine
PubChem CID118185239
Molecular FormulaC21H26N2
Molecular Weight306.45 g/mol
Exact Mass306.21
IUPAC Name3-[4-[2-(4-pyrrolidin-1-ylphenyl)ethyl]phenyl]prop-1-en-2-amine
SMILESC=C(N)Cc1ccc(CCc2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C21H26N2/c1-17(22)16-20-8-6-18(7-9-20)4-5-19-10-12-21(13-11-19)23-14-2-3-15-23/h6-13H,1-5,14-16,22H2
InChIKeyVNBSSWFOLLBGSL-UHFFFAOYSA-N
XLogP4.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[4-[2-(4-pyrrolidin-1-ylphenyl)ethyl]phenyl]acetohydrazide
CID 44539373
3-[4-(azepan-1-yl)phenyl]propan-1-amine
CID 28806979
1-(4-pentylphenyl)pyrrolidine
CID 168512151
1-phenyl-4-[4-[2-[4-[1-[4-(4-phenylpiperazin-1-yl)phenyl]ethenyl]phenyl]ethyl]phenyl]piperazine
CID 59729859
1-pyrrolidin-1-yl-3-(4-pyrrolidin-1-ylphenyl)propan-1-one
CID 110647409
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
2-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]propanamide
CID 16889525
(4-pyrrolidin-1-ylphenyl)methylhydrazine
CID 22728051
2-(4-chlorophenyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]acetamide
CID 16890076
ethyl 3-[4-(azepan-1-yl)phenyl]propanoate
CID 59859896
2-bromo-N-[(4-piperidin-1-ylphenyl)methyl]prop-2-en-1-amine
CID 115614908
methyl 2-[(4-pyrrolidin-1-ylphenyl)methylamino]propanoate
CID 60781924

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(4-pyrrolidin-1-ylphenyl)ethyl]phenyl]prop-1-en-2-amine?
The IUPAC name of 3-[4-[2-(4-pyrrolidin-1-ylphenyl)ethyl]phenyl]prop-1-en-2-amine (CID 118185239) is 3-[4-[2-(4-pyrrolidin-1-ylphenyl)ethyl]phenyl]prop-1-en-2-amine.
What is the SMILES notation for 3-[4-[2-(4-pyrrolidin-1-ylphenyl)ethyl]phenyl]prop-1-en-2-amine?
The canonical SMILES for 3-[4-[2-(4-pyrrolidin-1-ylphenyl)ethyl]phenyl]prop-1-en-2-amine is C=C(N)Cc1ccc(CCc2ccc(N3CCCC3)cc2)cc1.
What is the InChIKey of 3-[4-[2-(4-pyrrolidin-1-ylphenyl)ethyl]phenyl]prop-1-en-2-amine?
The InChIKey is VNBSSWFOLLBGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2/c1-17(22)16-20-8-6-18(7-9-20)4-5-19-10-12-21(13-11-19)23-14-2-3-15-23/h6-13H,1-5,14-16,22H2.
What are the key properties of 3-[4-[2-(4-pyrrolidin-1-ylphenyl)ethyl]phenyl]prop-1-en-2-amine?
3-[4-[2-(4-pyrrolidin-1-ylphenyl)ethyl]phenyl]prop-1-en-2-amine has a molecular weight of 306.45 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(4-pyrrolidin-1-ylphenyl)ethyl]phenyl]prop-1-en-2-amine is sourced from PubChem (CID 118185239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).