1-N-butan-2-yl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine

C16H28N2O — CID 62570719

IUPAC1-N-butan-2-yl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine
SMILESCCC(C)NCC(C)N(C)Cc1ccc(OC)cc1
InChIInChI=1S/C16H28N2O/c1-6-13(2)17-11-14(3)18(4)12-15-7-9-16(19-5)10-8-15/h7-10,13-14,17H,6,11-12H2,1-5H3
InChIKeyAXGWEVYPRHVGJA-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.90
Rot. Bonds8

About 1-N-butan-2-yl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine

1-N-butan-2-yl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine (PubChem CID 62570719) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-N-butan-2-yl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-butan-2-yl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine
PubChem CID62570719
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-N-butan-2-yl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine
SMILESCCC(C)NCC(C)N(C)Cc1ccc(OC)cc1
InChIInChI=1S/C16H28N2O/c1-6-13(2)17-11-14(3)18(4)12-15-7-9-16(19-5)10-8-15/h7-10,13-14,17H,6,11-12H2,1-5H3
InChIKeyAXGWEVYPRHVGJA-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

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Related Compounds

1-N-butan-2-yl-2-N-[(4-fluorophenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 62569275
4-N-[(4-methoxyphenyl)methyl]-4-N-methyl-2-N-propylpentane-2,4-diamine
CID 64708022
N-[2-(4-methoxyphenyl)ethyl]butan-2-amine
CID 43178051
2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 61420599
2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
CID 62568221
3-N-[(4-methoxyphenyl)methyl]-1-N,3-N,2-trimethylbutane-1,3-diamine
CID 79409048
2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62570531
2-(butan-2-ylamino)-1-(4-methoxyphenyl)ethanol
CID 60904151
N-[3-(4-methoxyphenyl)propyl]butan-2-amine
CID 61023386
2-N-[(4-fluorophenyl)methyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
CID 62569276
2-N-benzyl-2-N-methyl-1-N-pentan-2-ylpropane-1,2-diamine
CID 62558509
2-N-benzyl-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine
CID 62424367

Frequently Asked Questions

What is the IUPAC name of 1-N-butan-2-yl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine?
The IUPAC name of 1-N-butan-2-yl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine (CID 62570719) is 1-N-butan-2-yl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-butan-2-yl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-butan-2-yl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine is CCC(C)NCC(C)N(C)Cc1ccc(OC)cc1.
What is the InChIKey of 1-N-butan-2-yl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine?
The InChIKey is AXGWEVYPRHVGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-6-13(2)17-11-14(3)18(4)12-15-7-9-16(19-5)10-8-15/h7-10,13-14,17H,6,11-12H2,1-5H3.
What are the key properties of 1-N-butan-2-yl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine?
1-N-butan-2-yl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-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 1-N-butan-2-yl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 62570719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).