N'-methyl-N'-propan-2-yl-N-[(3-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine

C16H28N2O — CID 62634740

IUPACN'-methyl-N'-propan-2-yl-N-[(3-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
SMILESCC(C)Oc1cccc(CNCCN(C)C(C)C)c1
InChIInChI=1S/C16H28N2O/c1-13(2)18(5)10-9-17-12-15-7-6-8-16(11-15)19-14(3)4/h6-8,11,13-14,17H,9-10,12H2,1-5H3
InChIKeyFMHFILDTKHVMRJ-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.90
Rot. Bonds8

About N'-methyl-N'-propan-2-yl-N-[(3-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine

N'-methyl-N'-propan-2-yl-N-[(3-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine (PubChem CID 62634740) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N'-methyl-N'-propan-2-yl-N-[(3-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-propan-2-yl-N-[(3-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
PubChem CID62634740
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN'-methyl-N'-propan-2-yl-N-[(3-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
SMILESCC(C)Oc1cccc(CNCCN(C)C(C)C)c1
InChIInChI=1S/C16H28N2O/c1-13(2)18(5)10-9-17-12-15-7-6-8-16(11-15)19-14(3)4/h6-8,11,13-14,17H,9-10,12H2,1-5H3
InChIKeyFMHFILDTKHVMRJ-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(2-methoxyethyl)-N'-methyl-N-[(3-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 62845370
1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]methanamine
CID 39357787
3-methylsulfanyl-N-[(3-propan-2-yloxyphenyl)methyl]butan-1-amine
CID 115604278
N-[(3-butan-2-yloxyphenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 54849186
2-(3-methoxyphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 86854917
1-methoxy-4-[(3-propan-2-yloxyphenyl)methylamino]butan-2-ol
CID 103876248
N-[(3-methoxyphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 3575354
2-(cyclopenten-1-yl)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 103845245
(2R)-N-[(3-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 39245134
[4-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenyl]methanol
CID 113365785
(2R)-2-[(3-propan-2-yloxyphenyl)methylamino]propan-1-ol
CID 114985581
4-methyl-N-[(3-propan-2-yloxyphenyl)methyl]pentan-2-amine
CID 61210556

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-propan-2-yl-N-[(3-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-propan-2-yl-N-[(3-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine (CID 62634740) is N'-methyl-N'-propan-2-yl-N-[(3-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-propan-2-yl-N-[(3-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-propan-2-yl-N-[(3-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine is CC(C)Oc1cccc(CNCCN(C)C(C)C)c1.
What is the InChIKey of N'-methyl-N'-propan-2-yl-N-[(3-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine?
The InChIKey is FMHFILDTKHVMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-13(2)18(5)10-9-17-12-15-7-6-8-16(11-15)19-14(3)4/h6-8,11,13-14,17H,9-10,12H2,1-5H3.
What are the key properties of N'-methyl-N'-propan-2-yl-N-[(3-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine?
N'-methyl-N'-propan-2-yl-N-[(3-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-propan-2-yl-N-[(3-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 62634740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).