N-[2-(4-bromophenyl)ethyl]-5,6-dimethoxy-N-propyl-2,3-dihydro-1H-inden-2-amine

C22H28BrNO2 — CID 10971805

IUPACN-[2-(4-bromophenyl)ethyl]-5,6-dimethoxy-N-propyl-2,3-dihydro-1H-inden-2-amine
SMILESCCCN(CCc1ccc(Br)cc1)C1Cc2cc(OC)c(OC)cc2C1
InChIInChI=1S/C22H28BrNO2/c1-4-10-24(11-9-16-5-7-19(23)8-6-16)20-12-17-14-21(25-2)22(26-3)15-18(17)13-20/h5-8,14-15,20H,4,9-13H2,1-3H3
InChIKeyVDMXQMKKYAQTLW-UHFFFAOYSA-N
MW418.38 g/mol
LogP4.89
Rot. Bonds8

About N-[2-(4-bromophenyl)ethyl]-5,6-dimethoxy-N-propyl-2,3-dihydro-1H-inden-2-amine

N-[2-(4-bromophenyl)ethyl]-5,6-dimethoxy-N-propyl-2,3-dihydro-1H-inden-2-amine (PubChem CID 10971805) has the molecular formula C22H28BrNO2 and a molecular weight of 418.38 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)ethyl]-5,6-dimethoxy-N-propyl-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)ethyl]-5,6-dimethoxy-N-propyl-2,3-dihydro-1H-inden-2-amine
PubChem CID10971805
Molecular FormulaC22H28BrNO2
Molecular Weight418.38 g/mol
Exact Mass417.13
IUPAC NameN-[2-(4-bromophenyl)ethyl]-5,6-dimethoxy-N-propyl-2,3-dihydro-1H-inden-2-amine
SMILESCCCN(CCc1ccc(Br)cc1)C1Cc2cc(OC)c(OC)cc2C1
InChIInChI=1S/C22H28BrNO2/c1-4-10-24(11-9-16-5-7-19(23)8-6-16)20-12-17-14-21(25-2)22(26-3)15-18(17)13-20/h5-8,14-15,20H,4,9-13H2,1-3H3
InChIKeyVDMXQMKKYAQTLW-UHFFFAOYSA-N
XLogP4.89
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.38
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)-N-propylacetamide
CID 10972080
2-[(3,4-dimethoxyphenyl)methyl]-6-(dipropylamino)-6,7-dihydro-5H-cyclopenta[f]isoindole-1,3-dione
CID 18705833
1-[2-(dipropylamino)-6-methoxy-2,3-dihydro-1H-inden-5-yl]ethanone
CID 19710243
5-methoxy-N-(2-phenylethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 12581206
5,6-bis(methoxymethyl)-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine
CID 23209354
2-N,2-N-dipropyl-2,3-dihydro-1H-indene-2,5-diamine
CID 10537561
5,6-dimethoxy-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine
CID 12009520
5-methylsulfanyl-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine
CID 19710198
2-(dipropylamino)-6-methyl-2,3-dihydro-1H-inden-5-ol
CID 175535780
N-(2-bromoethyl)-N-[2-(4-methoxyphenyl)ethyl]cyclopropanamine
CID 80668431
N-[2-(4-bromophenoxy)ethyl]-N-propylcyclopropanamine
CID 54971490
6-[2-(4-hydroxyphenyl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 14580578

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)ethyl]-5,6-dimethoxy-N-propyl-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-[2-(4-bromophenyl)ethyl]-5,6-dimethoxy-N-propyl-2,3-dihydro-1H-inden-2-amine (CID 10971805) is N-[2-(4-bromophenyl)ethyl]-5,6-dimethoxy-N-propyl-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-[2-(4-bromophenyl)ethyl]-5,6-dimethoxy-N-propyl-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-[2-(4-bromophenyl)ethyl]-5,6-dimethoxy-N-propyl-2,3-dihydro-1H-inden-2-amine is CCCN(CCc1ccc(Br)cc1)C1Cc2cc(OC)c(OC)cc2C1.
What is the InChIKey of N-[2-(4-bromophenyl)ethyl]-5,6-dimethoxy-N-propyl-2,3-dihydro-1H-inden-2-amine?
The InChIKey is VDMXQMKKYAQTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28BrNO2/c1-4-10-24(11-9-16-5-7-19(23)8-6-16)20-12-17-14-21(25-2)22(26-3)15-18(17)13-20/h5-8,14-15,20H,4,9-13H2,1-3H3.
What are the key properties of N-[2-(4-bromophenyl)ethyl]-5,6-dimethoxy-N-propyl-2,3-dihydro-1H-inden-2-amine?
N-[2-(4-bromophenyl)ethyl]-5,6-dimethoxy-N-propyl-2,3-dihydro-1H-inden-2-amine has a molecular weight of 418.38 g/mol, XLogP of 4.89, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)ethyl]-5,6-dimethoxy-N-propyl-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 10971805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).