N-ethyl-1-(6-methoxynaphthalen-2-yl)-N-propylethane-1,2-diamine

C18H26N2O — CID 43268541

IUPACN-ethyl-1-(6-methoxynaphthalen-2-yl)-N-propylethane-1,2-diamine
SMILESCCCN(CC)C(CN)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C18H26N2O/c1-4-10-20(5-2)18(13-19)16-7-6-15-12-17(21-3)9-8-14(15)11-16/h6-9,11-12,18H,4-5,10,13,19H2,1-3H3
InChIKeyAIIOEIJXSHPENW-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.58
Rot. Bonds7

About N-ethyl-1-(6-methoxynaphthalen-2-yl)-N-propylethane-1,2-diamine

N-ethyl-1-(6-methoxynaphthalen-2-yl)-N-propylethane-1,2-diamine (PubChem CID 43268541) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-ethyl-1-(6-methoxynaphthalen-2-yl)-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-1-(6-methoxynaphthalen-2-yl)-N-propylethane-1,2-diamine
PubChem CID43268541
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-ethyl-1-(6-methoxynaphthalen-2-yl)-N-propylethane-1,2-diamine
SMILESCCCN(CC)C(CN)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C18H26N2O/c1-4-10-20(5-2)18(13-19)16-7-6-15-12-17(21-3)9-8-14(15)11-16/h6-9,11-12,18H,4-5,10,13,19H2,1-3H3
InChIKeyAIIOEIJXSHPENW-UHFFFAOYSA-N
XLogP3.58
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N,N-diethyl-1-(3-methoxyphenyl)ethane-1,2-diamine
CID 9450069
1-(6-methoxynaphthalen-2-yl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 115985624
N-ethyl-N-(2-ethylbutyl)-1-(4-methoxyphenyl)ethane-1,2-diamine
CID 61437202
N-ethyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine
CID 43268554
N-ethyl-1-(4-ethylphenyl)-N-propylethane-1,2-diamine
CID 43268550
(2S)-2-(6-methoxynaphthalen-2-yl)propan-1-amine
CID 93286235
1-(3-chloro-4-methoxyphenyl)-N,N-dipropylethane-1,2-diamine
CID 65021962
2-(2,2-dimethylhydrazinyl)-2-(6-methoxynaphthalen-2-yl)ethanamine
CID 83011600
2-[[2-amino-1-(4-methoxyphenyl)ethyl]-butylamino]ethanol
CID 55015957
(1S)-2-amino-1-(6-methoxynaphthalen-2-yl)ethanol
CID 28743407
(1R)-1-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine;hydrochloride
CID 171218891
1-(4-propan-2-yloxyphenyl)-N,N-dipropylethane-1,2-diamine
CID 16642868

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(6-methoxynaphthalen-2-yl)-N-propylethane-1,2-diamine?
The IUPAC name of N-ethyl-1-(6-methoxynaphthalen-2-yl)-N-propylethane-1,2-diamine (CID 43268541) is N-ethyl-1-(6-methoxynaphthalen-2-yl)-N-propylethane-1,2-diamine.
What is the SMILES notation for N-ethyl-1-(6-methoxynaphthalen-2-yl)-N-propylethane-1,2-diamine?
The canonical SMILES for N-ethyl-1-(6-methoxynaphthalen-2-yl)-N-propylethane-1,2-diamine is CCCN(CC)C(CN)c1ccc2cc(OC)ccc2c1.
What is the InChIKey of N-ethyl-1-(6-methoxynaphthalen-2-yl)-N-propylethane-1,2-diamine?
The InChIKey is AIIOEIJXSHPENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-4-10-20(5-2)18(13-19)16-7-6-15-12-17(21-3)9-8-14(15)11-16/h6-9,11-12,18H,4-5,10,13,19H2,1-3H3.
What are the key properties of N-ethyl-1-(6-methoxynaphthalen-2-yl)-N-propylethane-1,2-diamine?
N-ethyl-1-(6-methoxynaphthalen-2-yl)-N-propylethane-1,2-diamine has a molecular weight of 286.42 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(6-methoxynaphthalen-2-yl)-N-propylethane-1,2-diamine is sourced from PubChem (CID 43268541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).