N,N-dimethyl-1-(4-propan-2-yloxyphenyl)ethanamine

C13H21NO — CID 116914623

IUPACN,N-dimethyl-1-(4-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)Oc1ccc(C(C)N(C)C)cc1
InChIInChI=1S/C13H21NO/c1-10(2)15-13-8-6-12(7-9-13)11(3)14(4)5/h6-11H,1-5H3
InChIKeyHJSWLRQCNFQXOF-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.10
Rot. Bonds4

About N,N-dimethyl-1-(4-propan-2-yloxyphenyl)ethanamine

N,N-dimethyl-1-(4-propan-2-yloxyphenyl)ethanamine (PubChem CID 116914623) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N,N-dimethyl-1-(4-propan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(4-propan-2-yloxyphenyl)ethanamine
PubChem CID116914623
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN,N-dimethyl-1-(4-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)Oc1ccc(C(C)N(C)C)cc1
InChIInChI=1S/C13H21NO/c1-10(2)15-13-8-6-12(7-9-13)11(3)14(4)5/h6-11H,1-5H3
InChIKeyHJSWLRQCNFQXOF-UHFFFAOYSA-N
XLogP3.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,1-N-dimethyl-1-(4-propan-2-yloxyphenyl)pentane-1,4-diamine
CID 116905586
1-butan-2-yl-4-propan-2-yloxybenzene
CID 18730967
1-(difluoromethyl)-4-propan-2-yloxybenzene
CID 130057921
(1S)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 7446792
[1-[dimethylamino-(4-propan-2-yloxyphenyl)methyl]cyclopropyl]methanol
CID 116912161
3-(dimethylamino)-2-methyl-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 116908070
1-propan-2-yl-4-(4-propan-2-yloxyphenoxy)benzene
CID 126761972
4-[1-(dimethylamino)ethyl]phenol
CID 3029886
(1R)-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 30049099
bromo-(4-propan-2-yloxyphenyl)methanamine
CID 116947610
ethyl 2-(dimethylamino)-2-(4-propan-2-yloxyphenyl)acetate
CID 116914253
1-(1-bromobutyl)-4-propan-2-yloxybenzene
CID 63441208

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(4-propan-2-yloxyphenyl)ethanamine?
The IUPAC name of N,N-dimethyl-1-(4-propan-2-yloxyphenyl)ethanamine (CID 116914623) is N,N-dimethyl-1-(4-propan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for N,N-dimethyl-1-(4-propan-2-yloxyphenyl)ethanamine?
The canonical SMILES for N,N-dimethyl-1-(4-propan-2-yloxyphenyl)ethanamine is CC(C)Oc1ccc(C(C)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-1-(4-propan-2-yloxyphenyl)ethanamine?
The InChIKey is HJSWLRQCNFQXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10(2)15-13-8-6-12(7-9-13)11(3)14(4)5/h6-11H,1-5H3.
What are the key properties of N,N-dimethyl-1-(4-propan-2-yloxyphenyl)ethanamine?
N,N-dimethyl-1-(4-propan-2-yloxyphenyl)ethanamine has a molecular weight of 207.32 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(4-propan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 116914623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).