N'-[(4-methoxyphenyl)methyl]-N'-methyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine

C18H32N2O — CID 62554430

IUPACN'-[(4-methoxyphenyl)methyl]-N'-methyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine
SMILESCOc1ccc(CN(C)CCNC(C)CCC(C)C)cc1
InChIInChI=1S/C18H32N2O/c1-15(2)6-7-16(3)19-12-13-20(4)14-17-8-10-18(21-5)11-9-17/h8-11,15-16,19H,6-7,12-14H2,1-5H3
InChIKeyUDOXVABSOSMWRY-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.54
Rot. Bonds10

About N'-[(4-methoxyphenyl)methyl]-N'-methyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine

N'-[(4-methoxyphenyl)methyl]-N'-methyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine (PubChem CID 62554430) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N'-[(4-methoxyphenyl)methyl]-N'-methyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(4-methoxyphenyl)methyl]-N'-methyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine
PubChem CID62554430
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN'-[(4-methoxyphenyl)methyl]-N'-methyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine
SMILESCOc1ccc(CN(C)CCNC(C)CCC(C)C)cc1
InChIInChI=1S/C18H32N2O/c1-15(2)6-7-16(3)19-12-13-20(4)14-17-8-10-18(21-5)11-9-17/h8-11,15-16,19H,6-7,12-14H2,1-5H3
InChIKeyUDOXVABSOSMWRY-UHFFFAOYSA-N
XLogP3.54
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(4-methoxyphenyl)methyl]-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 62553778
N-[2-(4-methoxyphenyl)ethyl]-5-methylhexan-2-amine
CID 43178052
N-[4-(4-methoxyphenyl)butan-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 43754790
N'-[(4-methoxyphenyl)methyl]-N'-methyl-N-(2-methylpropyl)pentane-1,5-diamine
CID 62435035
N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 122609914
4-chloro-N-[2-(4-methoxyphenyl)ethyl]butan-2-amine
CID 83188272
N-[1-(4-methoxyphenyl)propan-2-yl]-4-methylpentan-1-amine
CID 54914161
1-[(4-methoxyphenyl)methyl-methylamino]-3-methylbutan-2-one
CID 79396292
N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62435384
4-N-[(4-methoxyphenyl)methyl]-4-N-methyl-2-N-propylpentane-2,4-diamine
CID 64708022
(2R)-N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 7445911
N-cycloheptyl-N'-[(4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62575486

Frequently Asked Questions

What is the IUPAC name of N'-[(4-methoxyphenyl)methyl]-N'-methyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-[(4-methoxyphenyl)methyl]-N'-methyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine (CID 62554430) is N'-[(4-methoxyphenyl)methyl]-N'-methyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(4-methoxyphenyl)methyl]-N'-methyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-[(4-methoxyphenyl)methyl]-N'-methyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine is COc1ccc(CN(C)CCNC(C)CCC(C)C)cc1.
What is the InChIKey of N'-[(4-methoxyphenyl)methyl]-N'-methyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine?
The InChIKey is UDOXVABSOSMWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-15(2)6-7-16(3)19-12-13-20(4)14-17-8-10-18(21-5)11-9-17/h8-11,15-16,19H,6-7,12-14H2,1-5H3.
What are the key properties of N'-[(4-methoxyphenyl)methyl]-N'-methyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine?
N'-[(4-methoxyphenyl)methyl]-N'-methyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine has a molecular weight of 292.47 g/mol, XLogP of 3.54, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-methoxyphenyl)methyl]-N'-methyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 62554430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).