N'-methyl-N'-(3-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine

C17H30N2O — CID 61429545

IUPACN'-methyl-N'-(3-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
SMILESCCCOc1ccc(C(N)CN(C)CCC(C)C)cc1
InChIInChI=1S/C17H30N2O/c1-5-12-20-16-8-6-15(7-9-16)17(18)13-19(4)11-10-14(2)3/h6-9,14,17H,5,10-13,18H2,1-4H3
InChIKeyJITSNUDUNQPTNS-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.45
Rot. Bonds9

About N'-methyl-N'-(3-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine

N'-methyl-N'-(3-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine (PubChem CID 61429545) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N'-methyl-N'-(3-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(3-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
PubChem CID61429545
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN'-methyl-N'-(3-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
SMILESCCCOc1ccc(C(N)CN(C)CCC(C)C)cc1
InChIInChI=1S/C17H30N2O/c1-5-12-20-16-8-6-15(7-9-16)17(18)13-19(4)11-10-14(2)3/h6-9,14,17H,5,10-13,18H2,1-4H3
InChIKeyJITSNUDUNQPTNS-UHFFFAOYSA-N
XLogP3.45
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2-ethoxyethyl)-N'-methyl-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 81055375
N',N'-dimethyl-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 16784602
1-[4-(3-methylbutoxy)phenyl]butan-1-amine
CID 153373818
1-(4-butoxyphenyl)-4-methylpentan-1-amine
CID 105127236
1-(4-ethoxyphenyl)-N'-methyl-N'-pentylethane-1,2-diamine
CID 43294826
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
1-(4-propoxyphenyl)pentan-1-amine
CID 79016312
N'-cyclopentyl-N'-methyl-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 43267132
N'-ethyl-N'-(2-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 79481917
(1R)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 66516534
2-pentan-2-yloxy-1-(4-propoxyphenyl)ethanamine
CID 102981242
2,2,2-trifluoro-1-(4-propoxyphenyl)ethanamine
CID 63896619

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(3-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-(3-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine (CID 61429545) is N'-methyl-N'-(3-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-(3-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-(3-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine is CCCOc1ccc(C(N)CN(C)CCC(C)C)cc1.
What is the InChIKey of N'-methyl-N'-(3-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine?
The InChIKey is JITSNUDUNQPTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-5-12-20-16-8-6-15(7-9-16)17(18)13-19(4)11-10-14(2)3/h6-9,14,17H,5,10-13,18H2,1-4H3.
What are the key properties of N'-methyl-N'-(3-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine?
N'-methyl-N'-(3-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.45, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(3-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 61429545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).