N-methyl-1-(4-propan-2-yloxyphenyl)-2-(2-propoxyethoxy)ethanamine

C17H29NO3 — CID 63685624

IUPACN-methyl-1-(4-propan-2-yloxyphenyl)-2-(2-propoxyethoxy)ethanamine
SMILESCCCOCCOCC(NC)c1ccc(OC(C)C)cc1
InChIInChI=1S/C17H29NO3/c1-5-10-19-11-12-20-13-17(18-4)15-6-8-16(9-7-15)21-14(2)3/h6-9,14,17-18H,5,10-13H2,1-4H3
InChIKeyPCCQLAYWNYRBOW-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.18
Rot. Bonds11

About N-methyl-1-(4-propan-2-yloxyphenyl)-2-(2-propoxyethoxy)ethanamine

N-methyl-1-(4-propan-2-yloxyphenyl)-2-(2-propoxyethoxy)ethanamine (PubChem CID 63685624) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is N-methyl-1-(4-propan-2-yloxyphenyl)-2-(2-propoxyethoxy)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(4-propan-2-yloxyphenyl)-2-(2-propoxyethoxy)ethanamine
PubChem CID63685624
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC NameN-methyl-1-(4-propan-2-yloxyphenyl)-2-(2-propoxyethoxy)ethanamine
SMILESCCCOCCOCC(NC)c1ccc(OC(C)C)cc1
InChIInChI=1S/C17H29NO3/c1-5-10-19-11-12-20-13-17(18-4)15-6-8-16(9-7-15)21-14(2)3/h6-9,14,17-18H,5,10-13H2,1-4H3
InChIKeyPCCQLAYWNYRBOW-UHFFFAOYSA-N
XLogP3.18
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-naphthalen-2-yl-2-(2-propoxyethoxy)ethanamine
CID 63685085
1-(4-ethoxyphenyl)-N-methyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106447281
N-methyl-1-[4-(2-propoxyethoxy)phenyl]propan-1-amine
CID 106449842
N-methyl-1-(4-propan-2-yloxyphenyl)hexan-1-amine
CID 43485534
4-methoxy-N,3-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-amine
CID 105144752
N-methyl-1-(4-propan-2-yloxyphenyl)-2-propylsulfanylethanamine
CID 64615512
N-methyl-1-(6-methyl-3-pyridinyl)-2-propoxyethanamine
CID 63155924
2-butan-2-ylsulfanyl-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 64613215
1-[3-(difluoromethoxy)phenyl]-N-methyl-2-propoxyethanamine
CID 105008492
N-methyl-1-(5-methylfuran-3-yl)-2-propoxyethanamine
CID 105008302
N,N'-dimethyl-N'-(2-methylbutan-2-yl)-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 63981433
1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-propoxyethanamine
CID 62797505

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-propan-2-yloxyphenyl)-2-(2-propoxyethoxy)ethanamine?
The IUPAC name of N-methyl-1-(4-propan-2-yloxyphenyl)-2-(2-propoxyethoxy)ethanamine (CID 63685624) is N-methyl-1-(4-propan-2-yloxyphenyl)-2-(2-propoxyethoxy)ethanamine.
What is the SMILES notation for N-methyl-1-(4-propan-2-yloxyphenyl)-2-(2-propoxyethoxy)ethanamine?
The canonical SMILES for N-methyl-1-(4-propan-2-yloxyphenyl)-2-(2-propoxyethoxy)ethanamine is CCCOCCOCC(NC)c1ccc(OC(C)C)cc1.
What is the InChIKey of N-methyl-1-(4-propan-2-yloxyphenyl)-2-(2-propoxyethoxy)ethanamine?
The InChIKey is PCCQLAYWNYRBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-5-10-19-11-12-20-13-17(18-4)15-6-8-16(9-7-15)21-14(2)3/h6-9,14,17-18H,5,10-13H2,1-4H3.
What are the key properties of N-methyl-1-(4-propan-2-yloxyphenyl)-2-(2-propoxyethoxy)ethanamine?
N-methyl-1-(4-propan-2-yloxyphenyl)-2-(2-propoxyethoxy)ethanamine has a molecular weight of 295.42 g/mol, XLogP of 3.18, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-propan-2-yloxyphenyl)-2-(2-propoxyethoxy)ethanamine is sourced from PubChem (CID 63685624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).