N-[1-[5-methyl-2-(3-methylbut-3-enoxy)phenyl]ethyl]propan-1-amine

C17H27NO — CID 114471492

IUPACN-[1-[5-methyl-2-(3-methylbut-3-enoxy)phenyl]ethyl]propan-1-amine
SMILESC=C(C)CCOc1ccc(C)cc1C(C)NCCC
InChIInChI=1S/C17H27NO/c1-6-10-18-15(5)16-12-14(4)7-8-17(16)19-11-9-13(2)3/h7-8,12,15,18H,2,6,9-11H2,1,3-5H3
InChIKeyWQEIPLNRNKGFIF-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.40
Rot. Bonds8

About N-[1-[5-methyl-2-(3-methylbut-3-enoxy)phenyl]ethyl]propan-1-amine

N-[1-[5-methyl-2-(3-methylbut-3-enoxy)phenyl]ethyl]propan-1-amine (PubChem CID 114471492) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[1-[5-methyl-2-(3-methylbut-3-enoxy)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-methyl-2-(3-methylbut-3-enoxy)phenyl]ethyl]propan-1-amine
PubChem CID114471492
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[1-[5-methyl-2-(3-methylbut-3-enoxy)phenyl]ethyl]propan-1-amine
SMILESC=C(C)CCOc1ccc(C)cc1C(C)NCCC
InChIInChI=1S/C17H27NO/c1-6-10-18-15(5)16-12-14(4)7-8-17(16)19-11-9-13(2)3/h7-8,12,15,18H,2,6,9-11H2,1,3-5H3
InChIKeyWQEIPLNRNKGFIF-UHFFFAOYSA-N
XLogP4.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[5-methyl-2-(3-methylbut-3-enoxy)phenyl]ethanamine
CID 114471489
N-[1-[2-(2-butoxyethoxy)-5-methylphenyl]ethyl]propan-1-amine
CID 61483064
N-[1-(2-hept-6-enoxy-5-methylphenyl)ethyl]propan-1-amine
CID 107006103
3-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]propanamide
CID 63639953
N-[1-[2-(2-imidazol-1-ylethoxy)-5-methylphenyl]ethyl]propan-1-amine
CID 60887693
1-(2-butoxy-5-methylphenyl)-N-ethylethanamine
CID 43505150
N-ethyl-1-(2-hexoxy-5-methylphenyl)ethanamine
CID 43505152
1-[4-methyl-2-(3-methylbut-3-enoxy)phenyl]ethanol
CID 114472830
N-[1-[5-methyl-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 60888079
N-[1-[2-(2-methoxyethoxy)-4-methylphenyl]ethyl]propan-1-amine
CID 55246297
N-[1-[4-methyl-2-(3,3,3-trifluoropropoxy)phenyl]ethyl]propan-1-amine
CID 64554154
N-[1-[5-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 60887882

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-methyl-2-(3-methylbut-3-enoxy)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-methyl-2-(3-methylbut-3-enoxy)phenyl]ethyl]propan-1-amine (CID 114471492) is N-[1-[5-methyl-2-(3-methylbut-3-enoxy)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-methyl-2-(3-methylbut-3-enoxy)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-methyl-2-(3-methylbut-3-enoxy)phenyl]ethyl]propan-1-amine is C=C(C)CCOc1ccc(C)cc1C(C)NCCC.
What is the InChIKey of N-[1-[5-methyl-2-(3-methylbut-3-enoxy)phenyl]ethyl]propan-1-amine?
The InChIKey is WQEIPLNRNKGFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-6-10-18-15(5)16-12-14(4)7-8-17(16)19-11-9-13(2)3/h7-8,12,15,18H,2,6,9-11H2,1,3-5H3.
What are the key properties of N-[1-[5-methyl-2-(3-methylbut-3-enoxy)phenyl]ethyl]propan-1-amine?
N-[1-[5-methyl-2-(3-methylbut-3-enoxy)phenyl]ethyl]propan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-methyl-2-(3-methylbut-3-enoxy)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 114471492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).