2-N-ethyl-4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpentane-2,4-diamine

C18H32N2O — CID 65487789

IUPAC2-N-ethyl-4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpentane-2,4-diamine
SMILESCCNC(C)CC(C)N(C)C(C)Cc1ccccc1OC
InChIInChI=1S/C18H32N2O/c1-7-19-14(2)12-15(3)20(5)16(4)13-17-10-8-9-11-18(17)21-6/h8-11,14-16,19H,7,12-13H2,1-6H3
InChIKeyAVXWBEVKIARRCN-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.33
Rot. Bonds9

About 2-N-ethyl-4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpentane-2,4-diamine

2-N-ethyl-4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpentane-2,4-diamine (PubChem CID 65487789) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 2-N-ethyl-4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpentane-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpentane-2,4-diamine
PubChem CID65487789
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name2-N-ethyl-4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpentane-2,4-diamine
SMILESCCNC(C)CC(C)N(C)C(C)Cc1ccccc1OC
InChIInChI=1S/C18H32N2O/c1-7-19-14(2)12-15(3)20(5)16(4)13-17-10-8-9-11-18(17)21-6/h8-11,14-16,19H,7,12-13H2,1-6H3
InChIKeyAVXWBEVKIARRCN-UHFFFAOYSA-N
XLogP3.33
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-[1-(2-methoxyphenyl)propan-2-yl]-3-N-methyl-2-N-propylbutane-2,3-diamine
CID 65487593
2-N-[1-(2-methoxyphenyl)propan-2-yl]-2-N-methyl-1-N-propan-2-ylbutane-1,2-diamine
CID 65487307
3-ethyl-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea
CID 71994436
3-(ethylamino)-N-[(2-methoxyphenyl)methyl]-N-methylbutanamide
CID 55121106
N-[(2R)-2-(ethylamino)propyl]-2-(2-methoxyphenyl)acetamide
CID 120652529
2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propanehydrazide
CID 65486572
N-ethyl-3-methoxy-1-(2-methoxyphenyl)-4-methylpentan-2-amine
CID 116720261
methyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-oxoacetate
CID 112617368
[(2R)-1-(2-methoxyphenyl)propan-2-yl]azanium
CID 7432380
N-ethyl-1-(2-methoxyphenyl)-3-phenylpropan-2-amine
CID 61263100
1-cyclooctyl-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 65018291
3-amino-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propan-1-ol
CID 104711070

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpentane-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpentane-2,4-diamine (CID 65487789) is 2-N-ethyl-4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpentane-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpentane-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpentane-2,4-diamine is CCNC(C)CC(C)N(C)C(C)Cc1ccccc1OC.
What is the InChIKey of 2-N-ethyl-4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpentane-2,4-diamine?
The InChIKey is AVXWBEVKIARRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-7-19-14(2)12-15(3)20(5)16(4)13-17-10-8-9-11-18(17)21-6/h8-11,14-16,19H,7,12-13H2,1-6H3.
What are the key properties of 2-N-ethyl-4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpentane-2,4-diamine?
2-N-ethyl-4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpentane-2,4-diamine has a molecular weight of 292.47 g/mol, XLogP of 3.33, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpentane-2,4-diamine is sourced from PubChem (CID 65487789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).