N-(furan-3-ylmethyl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine

C17H24N2O2 — CID 61422376

IUPACN-(furan-3-ylmethyl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine
SMILESCC(C)Oc1cccc(C(CN)N(C)Cc2ccoc2)c1
InChIInChI=1S/C17H24N2O2/c1-13(2)21-16-6-4-5-15(9-16)17(10-18)19(3)11-14-7-8-20-12-14/h4-9,12-13,17H,10-11,18H2,1-3H3
InChIKeySIXYGYDWFHOZJJ-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.20
Rot. Bonds7

About N-(furan-3-ylmethyl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine

N-(furan-3-ylmethyl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine (PubChem CID 61422376) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine
PubChem CID61422376
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-(furan-3-ylmethyl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine
SMILESCC(C)Oc1cccc(C(CN)N(C)Cc2ccoc2)c1
InChIInChI=1S/C17H24N2O2/c1-13(2)21-16-6-4-5-15(9-16)17(10-18)19(3)11-14-7-8-20-12-14/h4-9,12-13,17H,10-11,18H2,1-3H3
InChIKeySIXYGYDWFHOZJJ-UHFFFAOYSA-N
XLogP3.20
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluorophenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
CID 61422331
1-(3,5-dichlorophenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
CID 61421444
N-(furan-3-ylmethyl)-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine
CID 61422487
1-(3-fluoro-4-methylphenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
CID 55245764
N-[(3-bromophenyl)methyl]-1-(furan-3-yl)-N-methylethane-1,2-diamine
CID 63208098
N-[(4-chlorophenyl)methyl]-1-(3-methoxyphenyl)-N-methylethane-1,2-diamine
CID 61415124
1-(4-cyclopropylphenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
CID 79984790
1-(3-ethoxyphenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 60871994
N-[(3-methoxyphenyl)methyl]-N-methyl-1-phenylethane-1,2-diamine
CID 61420129
N-ethyl-N-(2-methylbutyl)-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 79481710
1-(furan-3-yl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 63208399
3-N-(furan-3-ylmethyl)-3-N-methylbutane-1,3-diamine
CID 61421973

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine?
The IUPAC name of N-(furan-3-ylmethyl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine (CID 61422376) is N-(furan-3-ylmethyl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(furan-3-ylmethyl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(furan-3-ylmethyl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine is CC(C)Oc1cccc(C(CN)N(C)Cc2ccoc2)c1.
What is the InChIKey of N-(furan-3-ylmethyl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine?
The InChIKey is SIXYGYDWFHOZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13(2)21-16-6-4-5-15(9-16)17(10-18)19(3)11-14-7-8-20-12-14/h4-9,12-13,17H,10-11,18H2,1-3H3.
What are the key properties of N-(furan-3-ylmethyl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine?
N-(furan-3-ylmethyl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine has a molecular weight of 288.39 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 61422376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).