2-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-1-propan-2-ylguanidine

C20H26N4 — CID 111053525

IUPAC2-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-1-propan-2-ylguanidine
SMILESCC(C)N/C(N)=N/Cc1ccc(CN2CCc3ccccc32)cc1
InChIInChI=1S/C20H26N4/c1-15(2)23-20(21)22-13-16-7-9-17(10-8-16)14-24-12-11-18-5-3-4-6-19(18)24/h3-10,15H,11-14H2,1-2H3,(H3,21,22,23)
InChIKeyHWNLPXMOOPDAPY-UHFFFAOYSA-N
MW322.46 g/mol
LogP3.06
Rot. Bonds5

About 2-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-1-propan-2-ylguanidine

2-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-1-propan-2-ylguanidine (PubChem CID 111053525) has the molecular formula C20H26N4 and a molecular weight of 322.46 g/mol. Its IUPAC name is 2-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-1-propan-2-ylguanidine.

Molecular Properties

Compound Name2-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-1-propan-2-ylguanidine
PubChem CID111053525
Molecular FormulaC20H26N4
Molecular Weight322.46 g/mol
Exact Mass322.22
IUPAC Name2-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-1-propan-2-ylguanidine
SMILESCC(C)N/C(N)=N/Cc1ccc(CN2CCc3ccccc32)cc1
InChIInChI=1S/C20H26N4/c1-15(2)23-20(21)22-13-16-7-9-17(10-8-16)14-24-12-11-18-5-3-4-6-19(18)24/h3-10,15H,11-14H2,1-2H3,(H3,21,22,23)
InChIKeyHWNLPXMOOPDAPY-UHFFFAOYSA-N
XLogP3.06
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-1-ethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111929048
[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methanamine
CID 16793024
4-amino-N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide
CID 120565087
2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-propan-2-ylguanidine
CID 111071222
1-[(4-bromophenyl)methyl]-2,3-dihydroindole
CID 22199835
2-[(4-fluorophenyl)methyl]-1-propan-2-ylguanidine
CID 62363934
methyl 4-(2,3-dihydroindol-1-ylmethyl)benzoate
CID 6473082
2-[(4-morpholin-4-ylphenyl)methyl]-1-propan-2-ylguanidine
CID 111063094
[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-trimethylsilane
CID 103438257
2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-propan-2-ylguanidine
CID 111089215
2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-propan-2-ylguanidine;hydroiodide
CID 111036513
N-[1-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methylamino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 46447030

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-1-propan-2-ylguanidine?
The IUPAC name of 2-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-1-propan-2-ylguanidine (CID 111053525) is 2-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-1-propan-2-ylguanidine.
What is the SMILES notation for 2-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-1-propan-2-ylguanidine?
The canonical SMILES for 2-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-1-propan-2-ylguanidine is CC(C)N/C(N)=N/Cc1ccc(CN2CCc3ccccc32)cc1.
What is the InChIKey of 2-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-1-propan-2-ylguanidine?
The InChIKey is HWNLPXMOOPDAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4/c1-15(2)23-20(21)22-13-16-7-9-17(10-8-16)14-24-12-11-18-5-3-4-6-19(18)24/h3-10,15H,11-14H2,1-2H3,(H3,21,22,23).
What are the key properties of 2-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-1-propan-2-ylguanidine?
2-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-1-propan-2-ylguanidine has a molecular weight of 322.46 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-1-propan-2-ylguanidine is sourced from PubChem (CID 111053525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).