N-ethyl-2-propan-2-yloxy-1-(3-propylphenyl)ethanamine

C16H27NO — CID 105188000

IUPACN-ethyl-2-propan-2-yloxy-1-(3-propylphenyl)ethanamine
SMILESCCCc1cccc(C(COC(C)C)NCC)c1
InChIInChI=1S/C16H27NO/c1-5-8-14-9-7-10-15(11-14)16(17-6-2)12-18-13(3)4/h7,9-11,13,16-17H,5-6,8,12H2,1-4H3
InChIKeyVBXXFCXDSZULBO-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.71
Rot. Bonds8

About N-ethyl-2-propan-2-yloxy-1-(3-propylphenyl)ethanamine

N-ethyl-2-propan-2-yloxy-1-(3-propylphenyl)ethanamine (PubChem CID 105188000) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-ethyl-2-propan-2-yloxy-1-(3-propylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-propan-2-yloxy-1-(3-propylphenyl)ethanamine
PubChem CID105188000
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-ethyl-2-propan-2-yloxy-1-(3-propylphenyl)ethanamine
SMILESCCCc1cccc(C(COC(C)C)NCC)c1
InChIInChI=1S/C16H27NO/c1-5-8-14-9-7-10-15(11-14)16(17-6-2)12-18-13(3)4/h7,9-11,13,16-17H,5-6,8,12H2,1-4H3
InChIKeyVBXXFCXDSZULBO-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(3-fluorophenyl)-2-propan-2-yloxyethanamine
CID 79573891
N-[2-propoxy-1-(3-propylphenyl)ethyl]propan-1-amine
CID 116544166
1-(3,4-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 79574237
N-ethyl-1-(3-propylphenyl)-2-propylsulfanylethanamine
CID 116544428
N-[1-(3-chlorophenyl)-2-propan-2-yloxyethyl]propan-1-amine
CID 79575629
1-(4-bromo-3-methylphenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 105013094
N-ethyl-1-(3-propylphenyl)-2-(thian-4-yl)ethanamine
CID 105188025
N-[1-(3-propylphenyl)ethyl]propan-1-amine
CID 116544021
1-(3-bromo-4-chlorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 113337160
1-(3-chloro-4-fluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 79575549
N-[1-[3-(difluoromethoxy)phenyl]-2-propan-2-yloxyethyl]propan-1-amine
CID 105013280
N-methyl-1-(3-propylphenyl)ethanamine
CID 59900502

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-propan-2-yloxy-1-(3-propylphenyl)ethanamine?
The IUPAC name of N-ethyl-2-propan-2-yloxy-1-(3-propylphenyl)ethanamine (CID 105188000) is N-ethyl-2-propan-2-yloxy-1-(3-propylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-2-propan-2-yloxy-1-(3-propylphenyl)ethanamine?
The canonical SMILES for N-ethyl-2-propan-2-yloxy-1-(3-propylphenyl)ethanamine is CCCc1cccc(C(COC(C)C)NCC)c1.
What is the InChIKey of N-ethyl-2-propan-2-yloxy-1-(3-propylphenyl)ethanamine?
The InChIKey is VBXXFCXDSZULBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-8-14-9-7-10-15(11-14)16(17-6-2)12-18-13(3)4/h7,9-11,13,16-17H,5-6,8,12H2,1-4H3.
What are the key properties of N-ethyl-2-propan-2-yloxy-1-(3-propylphenyl)ethanamine?
N-ethyl-2-propan-2-yloxy-1-(3-propylphenyl)ethanamine has a molecular weight of 249.40 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-propan-2-yloxy-1-(3-propylphenyl)ethanamine is sourced from PubChem (CID 105188000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).