N'-(cyclopropylmethyl)-N'-ethyl-N-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine

C18H30N2O — CID 63956587

IUPACN'-(cyclopropylmethyl)-N'-ethyl-N-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
SMILESCCN(CC1CC1)CC(NC)c1ccc(OC(C)C)cc1
InChIInChI=1S/C18H30N2O/c1-5-20(12-15-6-7-15)13-18(19-4)16-8-10-17(11-9-16)21-14(2)3/h8-11,14-15,18-19H,5-7,12-13H2,1-4H3
InChIKeyIYTKHCMVDBECKZ-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.47
Rot. Bonds9

About N'-(cyclopropylmethyl)-N'-ethyl-N-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine

N'-(cyclopropylmethyl)-N'-ethyl-N-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine (PubChem CID 63956587) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N'-(cyclopropylmethyl)-N'-ethyl-N-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(cyclopropylmethyl)-N'-ethyl-N-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
PubChem CID63956587
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN'-(cyclopropylmethyl)-N'-ethyl-N-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
SMILESCCN(CC1CC1)CC(NC)c1ccc(OC(C)C)cc1
InChIInChI=1S/C18H30N2O/c1-5-20(12-15-6-7-15)13-18(19-4)16-8-10-17(11-9-16)21-14(2)3/h8-11,14-15,18-19H,5-7,12-13H2,1-4H3
InChIKeyIYTKHCMVDBECKZ-UHFFFAOYSA-N
XLogP3.47
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(cyclobutylmethyl)-N'-ethyl-1-(4-methoxyphenyl)-N-methylethane-1,2-diamine
CID 107397996
N,N'-dimethyl-N'-(2-methylbutan-2-yl)-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 63981433
N'-(cyclopropylmethyl)-N'-ethyl-N-methyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 63955363
N'-(cyclopropylmethyl)-N'-ethyl-1-phenyl-N-propylethane-1,2-diamine
CID 63955974
2-[cyclopropylmethyl(ethyl)amino]-1-(4-ethoxyphenyl)ethanol
CID 63954434
N-methyl-1-(4-propan-2-yloxyphenyl)hexan-1-amine
CID 43485534
2-(1,3-dioxolan-2-yl)-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 103546700
N,N',N'-triethyl-1-(4-propan-2-yloxyphenyl)propane-1,3-diamine
CID 79094593
N',N'-diethyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 16781981
N'-(cyclobutylmethyl)-N'-ethyl-N-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 107401665
N'-(cyclopropylmethyl)-1-(3,4-dimethylphenyl)-N,N'-diethylethane-1,2-diamine
CID 63955360
N-methyl-1-(4-propan-2-yloxyphenyl)-2-propylsulfanylethanamine
CID 64615512

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropylmethyl)-N'-ethyl-N-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine?
The IUPAC name of N'-(cyclopropylmethyl)-N'-ethyl-N-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine (CID 63956587) is N'-(cyclopropylmethyl)-N'-ethyl-N-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(cyclopropylmethyl)-N'-ethyl-N-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(cyclopropylmethyl)-N'-ethyl-N-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine is CCN(CC1CC1)CC(NC)c1ccc(OC(C)C)cc1.
What is the InChIKey of N'-(cyclopropylmethyl)-N'-ethyl-N-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine?
The InChIKey is IYTKHCMVDBECKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-20(12-15-6-7-15)13-18(19-4)16-8-10-17(11-9-16)21-14(2)3/h8-11,14-15,18-19H,5-7,12-13H2,1-4H3.
What are the key properties of N'-(cyclopropylmethyl)-N'-ethyl-N-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine?
N'-(cyclopropylmethyl)-N'-ethyl-N-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine has a molecular weight of 290.45 g/mol, XLogP of 3.47, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropylmethyl)-N'-ethyl-N-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 63956587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).