N'-[2-amino-1-(4-propan-2-yloxyphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine

C17H31N3O — CID 63695333

IUPACN'-[2-amino-1-(4-propan-2-yloxyphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCC(C)Oc1ccc(C(CN)N(C)CCCN(C)C)cc1
InChIInChI=1S/C17H31N3O/c1-14(2)21-16-9-7-15(8-10-16)17(13-18)20(5)12-6-11-19(3)4/h7-10,14,17H,6,11-13,18H2,1-5H3
InChIKeyCDDYSXRIQCPHRW-UHFFFAOYSA-N
MW293.46 g/mol
LogP2.36
Rot. Bonds9

About N'-[2-amino-1-(4-propan-2-yloxyphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine

N'-[2-amino-1-(4-propan-2-yloxyphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 63695333) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is N'-[2-amino-1-(4-propan-2-yloxyphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-amino-1-(4-propan-2-yloxyphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID63695333
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC NameN'-[2-amino-1-(4-propan-2-yloxyphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCC(C)Oc1ccc(C(CN)N(C)CCCN(C)C)cc1
InChIInChI=1S/C17H31N3O/c1-14(2)21-16-9-7-15(8-10-16)17(13-18)20(5)12-6-11-19(3)4/h7-10,14,17H,6,11-13,18H2,1-5H3
InChIKeyCDDYSXRIQCPHRW-UHFFFAOYSA-N
XLogP2.36
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63693245
1-(4-propan-2-yloxyphenyl)-N,N-dipropylethane-1,2-diamine
CID 16642868
1-[4-(difluoromethoxy)phenyl]-N-(3-methoxypropyl)-N-methylethane-1,2-diamine
CID 62983749
N-(cyclobutylmethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 62861284
N-(cyclopentylmethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 63631217
N-methyl-1-(4-propan-2-yloxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 60917484
2-[3-(dimethylamino)propyl-methylamino]-1-(4-propan-2-yloxyphenyl)ethanol
CID 63699784
N-methyl-N-pentyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 43294635
4-[[2-amino-1-(4-methoxyphenyl)ethyl]-methylamino]butan-2-ol
CID 113499536
N',N'-dimethyl-N-[(1R)-2-methyl-1-(4-propan-2-yloxyphenyl)propyl]propane-1,3-diamine
CID 42570976
1-[4-(difluoromethoxy)phenyl]-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 79842754
N-(cyclopropylmethyl)-1-(4-propan-2-yloxyphenyl)-N-propylethane-1,2-diamine
CID 61440569

Frequently Asked Questions

What is the IUPAC name of N'-[2-amino-1-(4-propan-2-yloxyphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[2-amino-1-(4-propan-2-yloxyphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine (CID 63695333) is N'-[2-amino-1-(4-propan-2-yloxyphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-amino-1-(4-propan-2-yloxyphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[2-amino-1-(4-propan-2-yloxyphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine is CC(C)Oc1ccc(C(CN)N(C)CCCN(C)C)cc1.
What is the InChIKey of N'-[2-amino-1-(4-propan-2-yloxyphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is CDDYSXRIQCPHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-14(2)21-16-9-7-15(8-10-16)17(13-18)20(5)12-6-11-19(3)4/h7-10,14,17H,6,11-13,18H2,1-5H3.
What are the key properties of N'-[2-amino-1-(4-propan-2-yloxyphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine?
N'-[2-amino-1-(4-propan-2-yloxyphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 293.46 g/mol, XLogP of 2.36, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-amino-1-(4-propan-2-yloxyphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 63695333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).