N-[2-(3-aminophenyl)ethyl]-5,6-dimethoxy-N-propyl-2,3-dihydro-1H-inden-2-amine

C22H30N2O2 — CID 10861170

IUPACN-[2-(3-aminophenyl)ethyl]-5,6-dimethoxy-N-propyl-2,3-dihydro-1H-inden-2-amine
SMILESCCCN(CCc1cccc(N)c1)C1Cc2cc(OC)c(OC)cc2C1
InChIInChI=1S/C22H30N2O2/c1-4-9-24(10-8-16-6-5-7-19(23)11-16)20-12-17-14-21(25-2)22(26-3)15-18(17)13-20/h5-7,11,14-15,20H,4,8-10,12-13,23H2,1-3H3
InChIKeyOAIKERJNHAYFDQ-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.71
Rot. Bonds8

About N-[2-(3-aminophenyl)ethyl]-5,6-dimethoxy-N-propyl-2,3-dihydro-1H-inden-2-amine

N-[2-(3-aminophenyl)ethyl]-5,6-dimethoxy-N-propyl-2,3-dihydro-1H-inden-2-amine (PubChem CID 10861170) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is N-[2-(3-aminophenyl)ethyl]-5,6-dimethoxy-N-propyl-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-[2-(3-aminophenyl)ethyl]-5,6-dimethoxy-N-propyl-2,3-dihydro-1H-inden-2-amine
PubChem CID10861170
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC NameN-[2-(3-aminophenyl)ethyl]-5,6-dimethoxy-N-propyl-2,3-dihydro-1H-inden-2-amine
SMILESCCCN(CCc1cccc(N)c1)C1Cc2cc(OC)c(OC)cc2C1
InChIInChI=1S/C22H30N2O2/c1-4-9-24(10-8-16-6-5-7-19(23)11-16)20-12-17-14-21(25-2)22(26-3)15-18(17)13-20/h5-7,11,14-15,20H,4,8-10,12-13,23H2,1-3H3
InChIKeyOAIKERJNHAYFDQ-UHFFFAOYSA-N
XLogP3.71
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminophenyl)ethyl]-5,6-dimethoxy-N-propyl-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-[2-(3-aminophenyl)ethyl]-5,6-dimethoxy-N-propyl-2,3-dihydro-1H-inden-2-amine (CID 10861170) is N-[2-(3-aminophenyl)ethyl]-5,6-dimethoxy-N-propyl-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-[2-(3-aminophenyl)ethyl]-5,6-dimethoxy-N-propyl-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-[2-(3-aminophenyl)ethyl]-5,6-dimethoxy-N-propyl-2,3-dihydro-1H-inden-2-amine is CCCN(CCc1cccc(N)c1)C1Cc2cc(OC)c(OC)cc2C1.
What is the InChIKey of N-[2-(3-aminophenyl)ethyl]-5,6-dimethoxy-N-propyl-2,3-dihydro-1H-inden-2-amine?
The InChIKey is OAIKERJNHAYFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-4-9-24(10-8-16-6-5-7-19(23)11-16)20-12-17-14-21(25-2)22(26-3)15-18(17)13-20/h5-7,11,14-15,20H,4,8-10,12-13,23H2,1-3H3.
What are the key properties of N-[2-(3-aminophenyl)ethyl]-5,6-dimethoxy-N-propyl-2,3-dihydro-1H-inden-2-amine?
N-[2-(3-aminophenyl)ethyl]-5,6-dimethoxy-N-propyl-2,3-dihydro-1H-inden-2-amine has a molecular weight of 354.49 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminophenyl)ethyl]-5,6-dimethoxy-N-propyl-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 10861170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).