1-N-tert-butyl-2-N-ethyl-2-N-[(1S)-1-(2-methoxyphenyl)ethyl]propane-1,2-diamine

C18H32N2O — CID 58313619

IUPAC1-N-tert-butyl-2-N-ethyl-2-N-[(1S)-1-(2-methoxyphenyl)ethyl]propane-1,2-diamine
SMILESCCN(C(C)CNC(C)(C)C)[C@@H](C)c1ccccc1OC
InChIInChI=1S/C18H32N2O/c1-8-20(14(2)13-19-18(4,5)6)15(3)16-11-9-10-12-17(16)21-7/h9-12,14-15,19H,8,13H2,1-7H3/t14?,15-/m0/s1
InChIKeyXDYYSIDFMKJEFG-LOACHALJSA-N
MW292.47 g/mol
LogP3.85
Rot. Bonds7

About 1-N-tert-butyl-2-N-ethyl-2-N-[(1S)-1-(2-methoxyphenyl)ethyl]propane-1,2-diamine

1-N-tert-butyl-2-N-ethyl-2-N-[(1S)-1-(2-methoxyphenyl)ethyl]propane-1,2-diamine (PubChem CID 58313619) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-N-tert-butyl-2-N-ethyl-2-N-[(1S)-1-(2-methoxyphenyl)ethyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-2-N-ethyl-2-N-[(1S)-1-(2-methoxyphenyl)ethyl]propane-1,2-diamine
PubChem CID58313619
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name1-N-tert-butyl-2-N-ethyl-2-N-[(1S)-1-(2-methoxyphenyl)ethyl]propane-1,2-diamine
SMILESCCN(C(C)CNC(C)(C)C)[C@@H](C)c1ccccc1OC
InChIInChI=1S/C18H32N2O/c1-8-20(14(2)13-19-18(4,5)6)15(3)16-11-9-10-12-17(16)21-7/h9-12,14-15,19H,8,13H2,1-7H3/t14?,15-/m0/s1
InChIKeyXDYYSIDFMKJEFG-LOACHALJSA-N
XLogP3.85
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(tert-butylamino)-N-ethyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 58313557
1-N-tert-butyl-2-N-(2-methoxyphenyl)-2-N-methylpropane-1,2-diamine
CID 55074176
(4R)-N-tert-butyl-4-(2-methoxyphenyl)-2-methylpentan-1-amine
CID 58313669
(1R)-N-ethyl-1-(2-methoxyphenyl)-N-methylethanamine
CID 118327627
1-N-ethyl-1-N-[1-(2-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine
CID 70921714
(2S)-2-N-tert-butyl-1-N-ethyl-1-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylbutane-1,2-diamine
CID 58313578
N-[1-(2-methoxyphenyl)ethyl]-2,4,4-trimethylpentan-2-amine
CID 43731154
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 81396737
N-ethyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4,4-dimethylpentanamide
CID 58313512
3-[1-(2-methoxyphenyl)ethyl-propan-2-ylamino]propanoic acid
CID 65057113
N-[2-(2-methoxyphenyl)-2-(oxetan-3-yloxy)ethyl]-2-methylpropan-2-amine
CID 102607756
(1R)-1-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 11346678

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-2-N-ethyl-2-N-[(1S)-1-(2-methoxyphenyl)ethyl]propane-1,2-diamine?
The IUPAC name of 1-N-tert-butyl-2-N-ethyl-2-N-[(1S)-1-(2-methoxyphenyl)ethyl]propane-1,2-diamine (CID 58313619) is 1-N-tert-butyl-2-N-ethyl-2-N-[(1S)-1-(2-methoxyphenyl)ethyl]propane-1,2-diamine.
What is the SMILES notation for 1-N-tert-butyl-2-N-ethyl-2-N-[(1S)-1-(2-methoxyphenyl)ethyl]propane-1,2-diamine?
The canonical SMILES for 1-N-tert-butyl-2-N-ethyl-2-N-[(1S)-1-(2-methoxyphenyl)ethyl]propane-1,2-diamine is CCN(C(C)CNC(C)(C)C)[C@@H](C)c1ccccc1OC.
What is the InChIKey of 1-N-tert-butyl-2-N-ethyl-2-N-[(1S)-1-(2-methoxyphenyl)ethyl]propane-1,2-diamine?
The InChIKey is XDYYSIDFMKJEFG-LOACHALJSA-N. The full InChI is InChI=1S/C18H32N2O/c1-8-20(14(2)13-19-18(4,5)6)15(3)16-11-9-10-12-17(16)21-7/h9-12,14-15,19H,8,13H2,1-7H3/t14?,15-/m0/s1.
What are the key properties of 1-N-tert-butyl-2-N-ethyl-2-N-[(1S)-1-(2-methoxyphenyl)ethyl]propane-1,2-diamine?
1-N-tert-butyl-2-N-ethyl-2-N-[(1S)-1-(2-methoxyphenyl)ethyl]propane-1,2-diamine has a molecular weight of 292.47 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-2-N-ethyl-2-N-[(1S)-1-(2-methoxyphenyl)ethyl]propane-1,2-diamine is sourced from PubChem (CID 58313619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).