N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,5-dimethylaniline

C19H23N — CID 43100562

IUPACN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,5-dimethylaniline
SMILESCc1cc(C)cc(NC(C)c2ccc3c(c2)CCC3)c1
InChIInChI=1S/C19H23N/c1-13-9-14(2)11-19(10-13)20-15(3)17-8-7-16-5-4-6-18(16)12-17/h7-12,15,20H,4-6H2,1-3H3
InChIKeyAJEGTTLJWKNQEG-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.97
Rot. Bonds3

About N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,5-dimethylaniline

N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,5-dimethylaniline (PubChem CID 43100562) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,5-dimethylaniline.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,5-dimethylaniline
PubChem CID43100562
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC NameN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,5-dimethylaniline
SMILESCc1cc(C)cc(NC(C)c2ccc3c(c2)CCC3)c1
InChIInChI=1S/C19H23N/c1-13-9-14(2)11-19(10-13)20-15(3)17-8-7-16-5-4-6-18(16)12-17/h7-12,15,20H,4-6H2,1-3H3
InChIKeyAJEGTTLJWKNQEG-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-dichloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-fluoroaniline
CID 107572608
2-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylaniline
CID 43100834
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-fluoro-4-methylaniline
CID 43096117
3-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-5-methoxyaniline
CID 82860544
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]thiophen-3-amine
CID 66352791
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]pyridin-3-amine
CID 43200742
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-iodoaniline
CID 43124478
2-methyl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]phenol
CID 107699751
4-bromo-2-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]aniline
CID 43347187
N-[1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-5-amine
CID 43096931
(1R)-1-(4-bromophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]ethanamine
CID 81356166
4-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2,5-dimethylphenol
CID 106953585

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,5-dimethylaniline?
The IUPAC name of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,5-dimethylaniline (CID 43100562) is N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,5-dimethylaniline.
What is the SMILES notation for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,5-dimethylaniline?
The canonical SMILES for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,5-dimethylaniline is Cc1cc(C)cc(NC(C)c2ccc3c(c2)CCC3)c1.
What is the InChIKey of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,5-dimethylaniline?
The InChIKey is AJEGTTLJWKNQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N/c1-13-9-14(2)11-19(10-13)20-15(3)17-8-7-16-5-4-6-18(16)12-17/h7-12,15,20H,4-6H2,1-3H3.
What are the key properties of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,5-dimethylaniline?
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,5-dimethylaniline has a molecular weight of 265.40 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,5-dimethylaniline is sourced from PubChem (CID 43100562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).