N-ethyl-N-(2-methylbutyl)-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine

C18H32N2O — CID 79481710

IUPACN-ethyl-N-(2-methylbutyl)-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine
SMILESCCC(C)CN(CC)C(CN)c1cccc(OC(C)C)c1
InChIInChI=1S/C18H32N2O/c1-6-15(5)13-20(7-2)18(12-19)16-9-8-10-17(11-16)21-14(3)4/h8-11,14-15,18H,6-7,12-13,19H2,1-5H3
InChIKeyFGTBWTMMNJBYRC-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.84
Rot. Bonds9

About N-ethyl-N-(2-methylbutyl)-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine

N-ethyl-N-(2-methylbutyl)-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine (PubChem CID 79481710) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N-ethyl-N-(2-methylbutyl)-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N-(2-methylbutyl)-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine
PubChem CID79481710
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN-ethyl-N-(2-methylbutyl)-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine
SMILESCCC(C)CN(CC)C(CN)c1cccc(OC(C)C)c1
InChIInChI=1S/C18H32N2O/c1-6-15(5)13-20(7-2)18(12-19)16-9-8-10-17(11-16)21-14(3)4/h8-11,14-15,18H,6-7,12-13,19H2,1-5H3
InChIKeyFGTBWTMMNJBYRC-UHFFFAOYSA-N
XLogP3.84
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(2-methylbutyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 79481720
1-(3-ethoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 60874089
(1S)-N,N-diethyl-1-(3-methoxyphenyl)ethane-1,2-diamine
CID 9450069
N-ethyl-N-(2-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 79481726
N-ethyl-N-(2-methylbutyl)-1-(4-methylsulfanylphenyl)ethane-1,2-diamine
CID 79477108
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(2-methylbutyl)ethane-1,2-diamine
CID 79477512
N-(furan-3-ylmethyl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 61422376
1-(4-propan-2-yloxyphenyl)-N,N-dipropylethane-1,2-diamine
CID 16642868
3-[1-[ethyl(2-methylbutyl)amino]ethyl]aniline
CID 79476910
N-ethyl-1-(3-methoxyphenyl)-N-propan-2-ylethane-1,2-diamine
CID 43265559
1-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 43273497
1-(2,5-dimethylphenyl)-N-ethyl-N-(2-methylbutyl)ethane-1,2-diamine
CID 79477292

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylbutyl)-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine?
The IUPAC name of N-ethyl-N-(2-methylbutyl)-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine (CID 79481710) is N-ethyl-N-(2-methylbutyl)-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N-(2-methylbutyl)-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N-(2-methylbutyl)-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine is CCC(C)CN(CC)C(CN)c1cccc(OC(C)C)c1.
What is the InChIKey of N-ethyl-N-(2-methylbutyl)-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine?
The InChIKey is FGTBWTMMNJBYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-6-15(5)13-20(7-2)18(12-19)16-9-8-10-17(11-16)21-14(3)4/h8-11,14-15,18H,6-7,12-13,19H2,1-5H3.
What are the key properties of N-ethyl-N-(2-methylbutyl)-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine?
N-ethyl-N-(2-methylbutyl)-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine has a molecular weight of 292.47 g/mol, XLogP of 3.84, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylbutyl)-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 79481710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).