N-[[3-ethoxy-2-(2-methylidenebutoxy)phenyl]methyl]-2-methylpropan-1-amine

C18H29NO2 — CID 66046626

IUPACN-[[3-ethoxy-2-(2-methylidenebutoxy)phenyl]methyl]-2-methylpropan-1-amine
SMILESC=C(CC)COc1c(CNCC(C)C)cccc1OCC
InChIInChI=1S/C18H29NO2/c1-6-15(5)13-21-18-16(12-19-11-14(3)4)9-8-10-17(18)20-7-2/h8-10,14,19H,5-7,11-13H2,1-4H3
InChIKeyUYEIVICWHBUMCM-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.18
Rot. Bonds10

About N-[[3-ethoxy-2-(2-methylidenebutoxy)phenyl]methyl]-2-methylpropan-1-amine

N-[[3-ethoxy-2-(2-methylidenebutoxy)phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 66046626) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[[3-ethoxy-2-(2-methylidenebutoxy)phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-ethoxy-2-(2-methylidenebutoxy)phenyl]methyl]-2-methylpropan-1-amine
PubChem CID66046626
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[[3-ethoxy-2-(2-methylidenebutoxy)phenyl]methyl]-2-methylpropan-1-amine
SMILESC=C(CC)COc1c(CNCC(C)C)cccc1OCC
InChIInChI=1S/C18H29NO2/c1-6-15(5)13-21-18-16(12-19-11-14(3)4)9-8-10-17(18)20-7-2/h8-10,14,19H,5-7,11-13H2,1-4H3
InChIKeyUYEIVICWHBUMCM-UHFFFAOYSA-N
XLogP4.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[[3-methyl-2-(2-methylidenebutoxy)phenyl]methyl]propan-1-amine
CID 112610261
N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 114471621
2-[2-ethoxy-6-[(2-methylpropylamino)methyl]phenoxy]ethanol
CID 63057479
1-[3-ethoxy-2-(2-methylidenebutoxy)phenyl]propan-2-amine
CID 66040201
N-[[2-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine
CID 63057630
N-[(2,3-diethoxyphenyl)methyl]ethanamine
CID 43278924
N-[[5-chloro-3-methoxy-2-(2-methylidenebutoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 104665122
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine;hydrochloride
CID 17206183
2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetic acid
CID 102535781
3-ethoxy-2-(2-methylidenebutoxy)benzaldehyde
CID 66044765
N-[[2-(ethoxymethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 65369404
2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetamide
CID 43278938

Frequently Asked Questions

What is the IUPAC name of N-[[3-ethoxy-2-(2-methylidenebutoxy)phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-ethoxy-2-(2-methylidenebutoxy)phenyl]methyl]-2-methylpropan-1-amine (CID 66046626) is N-[[3-ethoxy-2-(2-methylidenebutoxy)phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-ethoxy-2-(2-methylidenebutoxy)phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-ethoxy-2-(2-methylidenebutoxy)phenyl]methyl]-2-methylpropan-1-amine is C=C(CC)COc1c(CNCC(C)C)cccc1OCC.
What is the InChIKey of N-[[3-ethoxy-2-(2-methylidenebutoxy)phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is UYEIVICWHBUMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-6-15(5)13-21-18-16(12-19-11-14(3)4)9-8-10-17(18)20-7-2/h8-10,14,19H,5-7,11-13H2,1-4H3.
What are the key properties of N-[[3-ethoxy-2-(2-methylidenebutoxy)phenyl]methyl]-2-methylpropan-1-amine?
N-[[3-ethoxy-2-(2-methylidenebutoxy)phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 4.18, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-ethoxy-2-(2-methylidenebutoxy)phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 66046626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).