N',N'-dimethyl-N-[(1R)-2-methyl-1-(4-propan-2-yloxyphenyl)propyl]propane-1,3-diamine

C18H32N2O — CID 42570976

IUPACN',N'-dimethyl-N-[(1R)-2-methyl-1-(4-propan-2-yloxyphenyl)propyl]propane-1,3-diamine
SMILESCC(C)Oc1ccc([C@H](NCCCN(C)C)C(C)C)cc1
InChIInChI=1S/C18H32N2O/c1-14(2)18(19-12-7-13-20(5)6)16-8-10-17(11-9-16)21-15(3)4/h8-11,14-15,18-19H,7,12-13H2,1-6H3/t18-/m1/s1
InChIKeyGAJWPYHCHMVONZ-GOSISDBHSA-N
MW292.47 g/mol
LogP3.71
Rot. Bonds9

About N',N'-dimethyl-N-[(1R)-2-methyl-1-(4-propan-2-yloxyphenyl)propyl]propane-1,3-diamine

N',N'-dimethyl-N-[(1R)-2-methyl-1-(4-propan-2-yloxyphenyl)propyl]propane-1,3-diamine (PubChem CID 42570976) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N',N'-dimethyl-N-[(1R)-2-methyl-1-(4-propan-2-yloxyphenyl)propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[(1R)-2-methyl-1-(4-propan-2-yloxyphenyl)propyl]propane-1,3-diamine
PubChem CID42570976
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN',N'-dimethyl-N-[(1R)-2-methyl-1-(4-propan-2-yloxyphenyl)propyl]propane-1,3-diamine
SMILESCC(C)Oc1ccc([C@H](NCCCN(C)C)C(C)C)cc1
InChIInChI=1S/C18H32N2O/c1-14(2)18(19-12-7-13-20(5)6)16-8-10-17(11-9-16)21-15(3)4/h8-11,14-15,18-19H,7,12-13H2,1-6H3/t18-/m1/s1
InChIKeyGAJWPYHCHMVONZ-GOSISDBHSA-N
XLogP3.71
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 ≤ 53.71
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-[2-(dimethylamino)ethoxy]ethyl]-1-(4-propan-2-yloxyphenyl)ethanamine
CID 107094233
2-[3-(dimethylamino)propyl-methylamino]-1-(4-propan-2-yloxyphenyl)ethanol
CID 63699784
N'-[2-amino-1-(4-propan-2-yloxyphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63695333
1-[3-(dimethylamino)propyl]-3-(4-propan-2-yloxyphenyl)urea
CID 108988372
N-[1-(4-propan-2-yloxyphenyl)ethyl]pentan-1-amine
CID 43102192
2-[1-(4-propan-2-yloxyphenyl)ethylamino]ethanol
CID 43151137
N'-methyl-N-(2-methyl-1-phenylpropyl)-N'-propan-2-ylethane-1,2-diamine
CID 62636093
2-[2-(dimethylamino)ethylamino]-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 82100899
3-[[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]amino]-N,N-dimethylpropanamide
CID 129372522
N,2-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-amine
CID 43485559
N',N'-dimethyl-N-[1-(4-methylphenoxy)propan-2-yl]propane-1,3-diamine
CID 114525099
4,4,4-trifluoro-N-[1-(4-propan-2-yloxyphenyl)ethyl]butan-1-amine
CID 81343833

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[(1R)-2-methyl-1-(4-propan-2-yloxyphenyl)propyl]propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-[(1R)-2-methyl-1-(4-propan-2-yloxyphenyl)propyl]propane-1,3-diamine (CID 42570976) is N',N'-dimethyl-N-[(1R)-2-methyl-1-(4-propan-2-yloxyphenyl)propyl]propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[(1R)-2-methyl-1-(4-propan-2-yloxyphenyl)propyl]propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-[(1R)-2-methyl-1-(4-propan-2-yloxyphenyl)propyl]propane-1,3-diamine is CC(C)Oc1ccc([C@H](NCCCN(C)C)C(C)C)cc1.
What is the InChIKey of N',N'-dimethyl-N-[(1R)-2-methyl-1-(4-propan-2-yloxyphenyl)propyl]propane-1,3-diamine?
The InChIKey is GAJWPYHCHMVONZ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H32N2O/c1-14(2)18(19-12-7-13-20(5)6)16-8-10-17(11-9-16)21-15(3)4/h8-11,14-15,18-19H,7,12-13H2,1-6H3/t18-/m1/s1.
What are the key properties of N',N'-dimethyl-N-[(1R)-2-methyl-1-(4-propan-2-yloxyphenyl)propyl]propane-1,3-diamine?
N',N'-dimethyl-N-[(1R)-2-methyl-1-(4-propan-2-yloxyphenyl)propyl]propane-1,3-diamine has a molecular weight of 292.47 g/mol, XLogP of 3.71, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[(1R)-2-methyl-1-(4-propan-2-yloxyphenyl)propyl]propane-1,3-diamine is sourced from PubChem (CID 42570976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).