N-ethyl-1-[4-(4-methylpentan-2-yloxy)phenyl]ethanamine

C16H27NO — CID 43285161

IUPACN-ethyl-1-[4-(4-methylpentan-2-yloxy)phenyl]ethanamine
SMILESCCNC(C)c1ccc(OC(C)CC(C)C)cc1
InChIInChI=1S/C16H27NO/c1-6-17-14(5)15-7-9-16(10-8-15)18-13(4)11-12(2)3/h7-10,12-14,17H,6,11H2,1-5H3
InChIKeyMTHFLOZZLURRHW-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.17
Rot. Bonds7

About N-ethyl-1-[4-(4-methylpentan-2-yloxy)phenyl]ethanamine

N-ethyl-1-[4-(4-methylpentan-2-yloxy)phenyl]ethanamine (PubChem CID 43285161) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-ethyl-1-[4-(4-methylpentan-2-yloxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[4-(4-methylpentan-2-yloxy)phenyl]ethanamine
PubChem CID43285161
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-ethyl-1-[4-(4-methylpentan-2-yloxy)phenyl]ethanamine
SMILESCCNC(C)c1ccc(OC(C)CC(C)C)cc1
InChIInChI=1S/C16H27NO/c1-6-17-14(5)15-7-9-16(10-8-15)18-13(4)11-12(2)3/h7-10,12-14,17H,6,11H2,1-5H3
InChIKeyMTHFLOZZLURRHW-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine
CID 93007249
ethane;N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 143132018
N,N-diethyl-2-[4-[1-(ethylamino)ethyl]phenoxy]propanamide
CID 43279277
ethyl 2-[4-[1-(ethylamino)ethyl]phenoxy]butanoate
CID 64668116
N-ethyl-1-(4-phenoxyphenyl)ethanamine
CID 43285534
N-ethyl-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 24697408
1-[4-(2,2-difluoroethoxy)phenyl]-N-ethylethanamine
CID 60921749
N-ethyl-1-[4-(2-propan-2-yloxyethoxy)phenyl]ethanamine
CID 43285146
N-ethyl-1-(4-hexoxyphenyl)ethanamine
CID 43279274
N-ethyl-1-(4-fluorophenyl)ethanamine
CID 21251078
N-ethyl-2-[1-(4-propan-2-yloxyphenyl)ethylamino]acetamide
CID 43566886
(2R)-N-[(1S)-1-[4-[(2S)-butan-2-yl]oxyphenyl]ethyl]butan-2-amine
CID 100558254

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-(4-methylpentan-2-yloxy)phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[4-(4-methylpentan-2-yloxy)phenyl]ethanamine (CID 43285161) is N-ethyl-1-[4-(4-methylpentan-2-yloxy)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[4-(4-methylpentan-2-yloxy)phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[4-(4-methylpentan-2-yloxy)phenyl]ethanamine is CCNC(C)c1ccc(OC(C)CC(C)C)cc1.
What is the InChIKey of N-ethyl-1-[4-(4-methylpentan-2-yloxy)phenyl]ethanamine?
The InChIKey is MTHFLOZZLURRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-6-17-14(5)15-7-9-16(10-8-15)18-13(4)11-12(2)3/h7-10,12-14,17H,6,11H2,1-5H3.
What are the key properties of N-ethyl-1-[4-(4-methylpentan-2-yloxy)phenyl]ethanamine?
N-ethyl-1-[4-(4-methylpentan-2-yloxy)phenyl]ethanamine has a molecular weight of 249.40 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-(4-methylpentan-2-yloxy)phenyl]ethanamine is sourced from PubChem (CID 43285161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).