N,N-diethyl-4-(2H-isoindol-1-yl)-3-propan-2-ylaniline

C21H26N2 — CID 139810238

IUPACN,N-diethyl-4-(2H-isoindol-1-yl)-3-propan-2-ylaniline
SMILESCCN(CC)c1ccc(-c2[nH]cc3ccccc23)c(C(C)C)c1
InChIInChI=1S/C21H26N2/c1-5-23(6-2)17-11-12-19(20(13-17)15(3)4)21-18-10-8-7-9-16(18)14-22-21/h7-15,22H,5-6H2,1-4H3
InChIKeyBXFMNPJLQSBMLE-UHFFFAOYSA-N
MW306.45 g/mol
LogP5.80
Rot. Bonds5

About N,N-diethyl-4-(2H-isoindol-1-yl)-3-propan-2-ylaniline

N,N-diethyl-4-(2H-isoindol-1-yl)-3-propan-2-ylaniline (PubChem CID 139810238) has the molecular formula C21H26N2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N,N-diethyl-4-(2H-isoindol-1-yl)-3-propan-2-ylaniline.

Molecular Properties

Compound NameN,N-diethyl-4-(2H-isoindol-1-yl)-3-propan-2-ylaniline
PubChem CID139810238
Molecular FormulaC21H26N2
Molecular Weight306.45 g/mol
Exact Mass306.21
IUPAC NameN,N-diethyl-4-(2H-isoindol-1-yl)-3-propan-2-ylaniline
SMILESCCN(CC)c1ccc(-c2[nH]cc3ccccc23)c(C(C)C)c1
InChIInChI=1S/C21H26N2/c1-5-23(6-2)17-11-12-19(20(13-17)15(3)4)21-18-10-8-7-9-16(18)14-22-21/h7-15,22H,5-6H2,1-4H3
InChIKeyBXFMNPJLQSBMLE-UHFFFAOYSA-N
XLogP5.80
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.45
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 66629431
N,N-diethyl-5-methylnaphthalen-2-amine
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butane;1-propan-2-ylnaphthalene
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N,N-diethyl-4-methyl-1,2-dihydroquinolin-7-amine
CID 152646818
3-(diethylamino)benzo[b]phenazine-6,11-dione
CID 4080326
4-[1-[4-(diethylamino)-2-ethylphenyl]-2-phenylethyl]-N,N,3-triethylaniline
CID 54528925
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
N,N-diethylpyren-2-amine
CID 122393290
5,5-bis[4-(diethylamino)-2-propan-2-ylphenyl]furo[3,4-b]pyrazin-7-one
CID 139663973
(3-methyl-1-naphthalen-1-ylbutyl)azanium chloride
CID 121438347
[4-(diethylamino)phenyl]-(1H-indol-3-yl)methanone
CID 4256394
5-(diethylamino)-2-(10-methylacridin-10-ium-9-yl)phenol bromide
CID 87526326

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(2H-isoindol-1-yl)-3-propan-2-ylaniline?
The IUPAC name of N,N-diethyl-4-(2H-isoindol-1-yl)-3-propan-2-ylaniline (CID 139810238) is N,N-diethyl-4-(2H-isoindol-1-yl)-3-propan-2-ylaniline.
What is the SMILES notation for N,N-diethyl-4-(2H-isoindol-1-yl)-3-propan-2-ylaniline?
The canonical SMILES for N,N-diethyl-4-(2H-isoindol-1-yl)-3-propan-2-ylaniline is CCN(CC)c1ccc(-c2[nH]cc3ccccc23)c(C(C)C)c1.
What is the InChIKey of N,N-diethyl-4-(2H-isoindol-1-yl)-3-propan-2-ylaniline?
The InChIKey is BXFMNPJLQSBMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2/c1-5-23(6-2)17-11-12-19(20(13-17)15(3)4)21-18-10-8-7-9-16(18)14-22-21/h7-15,22H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-4-(2H-isoindol-1-yl)-3-propan-2-ylaniline?
N,N-diethyl-4-(2H-isoindol-1-yl)-3-propan-2-ylaniline has a molecular weight of 306.45 g/mol, XLogP of 5.80, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(2H-isoindol-1-yl)-3-propan-2-ylaniline is sourced from PubChem (CID 139810238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).