2-N,2-N-dimethyl-1-N-[1-(4-propoxyphenyl)ethyl]propane-1,2-diamine

C16H28N2O — CID 54912857

IUPAC2-N,2-N-dimethyl-1-N-[1-(4-propoxyphenyl)ethyl]propane-1,2-diamine
SMILESCCCOc1ccc(C(C)NCC(C)N(C)C)cc1
InChIInChI=1S/C16H28N2O/c1-6-11-19-16-9-7-15(8-10-16)14(3)17-12-13(2)18(4)5/h7-10,13-14,17H,6,11-12H2,1-5H3
InChIKeyYDJYVWQBSDJWLG-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.08
Rot. Bonds8

About 2-N,2-N-dimethyl-1-N-[1-(4-propoxyphenyl)ethyl]propane-1,2-diamine

2-N,2-N-dimethyl-1-N-[1-(4-propoxyphenyl)ethyl]propane-1,2-diamine (PubChem CID 54912857) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-1-N-[1-(4-propoxyphenyl)ethyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-1-N-[1-(4-propoxyphenyl)ethyl]propane-1,2-diamine
PubChem CID54912857
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-N,2-N-dimethyl-1-N-[1-(4-propoxyphenyl)ethyl]propane-1,2-diamine
SMILESCCCOc1ccc(C(C)NCC(C)N(C)C)cc1
InChIInChI=1S/C16H28N2O/c1-6-11-19-16-9-7-15(8-10-16)14(3)17-12-13(2)18(4)5/h7-10,13-14,17H,6,11-12H2,1-5H3
InChIKeyYDJYVWQBSDJWLG-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[1-(4-propoxyphenyl)ethyl]propan-1-amine
CID 102696755
N-[(1S)-1-(4-butoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 100558104
4-[1-[2-(dimethylamino)propylamino]ethyl]phenol
CID 61043440
2,2-dimethyl-N-[1-(4-propoxyphenyl)ethyl]butan-1-amine
CID 103460837
4-[1-(4-propoxyphenyl)ethylamino]butan-2-ol
CID 64913817
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CID 83112296
(1R)-1-(4-methylphenyl)-N-[(4-propoxyphenyl)methyl]ethanamine
CID 81347006
5-methoxy-N-[1-(4-propoxyphenyl)ethyl]pentan-1-amine
CID 103779924
N-ethyl-1-(4-hexoxyphenyl)ethanamine
CID 43279274
N-[(5-methylfuran-2-yl)methyl]-1-(4-propoxyphenyl)ethanamine
CID 62048598
N-(2-methylpropoxy)-1-(4-propoxyphenyl)ethanamine
CID 82710446
1-(4-propoxyphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 54897283

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-1-N-[1-(4-propoxyphenyl)ethyl]propane-1,2-diamine?
The IUPAC name of 2-N,2-N-dimethyl-1-N-[1-(4-propoxyphenyl)ethyl]propane-1,2-diamine (CID 54912857) is 2-N,2-N-dimethyl-1-N-[1-(4-propoxyphenyl)ethyl]propane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-1-N-[1-(4-propoxyphenyl)ethyl]propane-1,2-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-1-N-[1-(4-propoxyphenyl)ethyl]propane-1,2-diamine is CCCOc1ccc(C(C)NCC(C)N(C)C)cc1.
What is the InChIKey of 2-N,2-N-dimethyl-1-N-[1-(4-propoxyphenyl)ethyl]propane-1,2-diamine?
The InChIKey is YDJYVWQBSDJWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-6-11-19-16-9-7-15(8-10-16)14(3)17-12-13(2)18(4)5/h7-10,13-14,17H,6,11-12H2,1-5H3.
What are the key properties of 2-N,2-N-dimethyl-1-N-[1-(4-propoxyphenyl)ethyl]propane-1,2-diamine?
2-N,2-N-dimethyl-1-N-[1-(4-propoxyphenyl)ethyl]propane-1,2-diamine has a molecular weight of 264.41 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-1-N-[1-(4-propoxyphenyl)ethyl]propane-1,2-diamine is sourced from PubChem (CID 54912857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).