N-ethyl-1-[4-(3-methylbutoxy)phenyl]propan-2-amine

C16H27NO — CID 115494877

IUPACN-ethyl-1-[4-(3-methylbutoxy)phenyl]propan-2-amine
SMILESCCNC(C)Cc1ccc(OCCC(C)C)cc1
InChIInChI=1S/C16H27NO/c1-5-17-14(4)12-15-6-8-16(9-7-15)18-11-10-13(2)3/h6-9,13-14,17H,5,10-12H2,1-4H3
InChIKeyHFYLEJFHDNXWFE-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.65
Rot. Bonds8

About N-ethyl-1-[4-(3-methylbutoxy)phenyl]propan-2-amine

N-ethyl-1-[4-(3-methylbutoxy)phenyl]propan-2-amine (PubChem CID 115494877) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-ethyl-1-[4-(3-methylbutoxy)phenyl]propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-[4-(3-methylbutoxy)phenyl]propan-2-amine
PubChem CID115494877
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-ethyl-1-[4-(3-methylbutoxy)phenyl]propan-2-amine
SMILESCCNC(C)Cc1ccc(OCCC(C)C)cc1
InChIInChI=1S/C16H27NO/c1-5-17-14(4)12-15-6-8-16(9-7-15)18-11-10-13(2)3/h6-9,13-14,17H,5,10-12H2,1-4H3
InChIKeyHFYLEJFHDNXWFE-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(4-heptoxyphenyl)propan-2-amine
CID 115494863
N-ethyl-1-[4-(2-propoxyethoxy)phenyl]propan-2-amine
CID 106450535
1-(3-methylbutoxy)-4-[4-(2-methylpropyl)phenyl]benzene
CID 169289853
N-ethyl-1-(4-prop-2-enoxyphenyl)propan-2-amine
CID 115494903
N-ethyl-1-(4-prop-2-ynoxyphenyl)propan-2-amine
CID 115495069
1-ethyl-4-(3-methylbutoxy)benzene
CID 60722998
N-ethyl-1-[4-(2-propylsulfonylethoxy)phenyl]propan-2-amine
CID 106722425
N-ethyl-1-[4-(thiophen-3-ylmethoxy)phenyl]propan-2-amine
CID 115494944
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-ethylpropan-2-amine
CID 115495018
N-ethyl-1-[4-(2-pyridin-2-ylethoxy)phenyl]propan-2-amine
CID 115495045
2-methyl-N-[[4-(3-methylbutoxy)phenyl]methyl]pentan-3-amine
CID 63455307
1-[4-[2-(2-methylpropoxy)ethoxy]phenyl]-N-propylpropan-2-amine
CID 106450542

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-(3-methylbutoxy)phenyl]propan-2-amine?
The IUPAC name of N-ethyl-1-[4-(3-methylbutoxy)phenyl]propan-2-amine (CID 115494877) is N-ethyl-1-[4-(3-methylbutoxy)phenyl]propan-2-amine.
What is the SMILES notation for N-ethyl-1-[4-(3-methylbutoxy)phenyl]propan-2-amine?
The canonical SMILES for N-ethyl-1-[4-(3-methylbutoxy)phenyl]propan-2-amine is CCNC(C)Cc1ccc(OCCC(C)C)cc1.
What is the InChIKey of N-ethyl-1-[4-(3-methylbutoxy)phenyl]propan-2-amine?
The InChIKey is HFYLEJFHDNXWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-17-14(4)12-15-6-8-16(9-7-15)18-11-10-13(2)3/h6-9,13-14,17H,5,10-12H2,1-4H3.
What are the key properties of N-ethyl-1-[4-(3-methylbutoxy)phenyl]propan-2-amine?
N-ethyl-1-[4-(3-methylbutoxy)phenyl]propan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-(3-methylbutoxy)phenyl]propan-2-amine is sourced from PubChem (CID 115494877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).