N-[1-(3-but-3-en-2-yloxyphenyl)ethyl]propan-1-amine

C15H23NO — CID 62389853

IUPACN-[1-(3-but-3-en-2-yloxyphenyl)ethyl]propan-1-amine
SMILESC=CC(C)Oc1cccc(C(C)NCCC)c1
InChIInChI=1S/C15H23NO/c1-5-10-16-13(4)14-8-7-9-15(11-14)17-12(3)6-2/h6-9,11-13,16H,2,5,10H2,1,3-4H3
InChIKeyRYTLCUDHVASYPV-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.70
Rot. Bonds7

About N-[1-(3-but-3-en-2-yloxyphenyl)ethyl]propan-1-amine

N-[1-(3-but-3-en-2-yloxyphenyl)ethyl]propan-1-amine (PubChem CID 62389853) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-[1-(3-but-3-en-2-yloxyphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-but-3-en-2-yloxyphenyl)ethyl]propan-1-amine
PubChem CID62389853
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-[1-(3-but-3-en-2-yloxyphenyl)ethyl]propan-1-amine
SMILESC=CC(C)Oc1cccc(C(C)NCCC)c1
InChIInChI=1S/C15H23NO/c1-5-10-16-13(4)14-8-7-9-15(11-14)17-12(3)6-2/h6-9,11-13,16H,2,5,10H2,1,3-4H3
InChIKeyRYTLCUDHVASYPV-UHFFFAOYSA-N
XLogP3.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.70
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

N-[1-(3-propan-2-yloxyphenyl)ethyl]pentan-1-amine
CID 43694615
N-[1-[3-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 79167760
N-[1-(3-pyridin-3-yloxyphenyl)ethyl]propan-1-amine
CID 79168443
1-(3-propan-2-yloxyphenyl)-N-propylpent-4-en-1-amine
CID 104987785
N-[1-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]propan-1-amine
CID 43280026
N-[1-[3-(3-ethoxypropoxy)phenyl]ethyl]propan-1-amine
CID 65176727
N-[1-[3-(difluoromethoxy)phenyl]ethyl]prop-2-en-1-amine
CID 43200528
N-[1-(3-prop-2-enylsulfanylphenyl)ethyl]propan-1-amine
CID 64665924
1-[3-(difluoromethoxy)phenyl]-N-propylbut-3-en-1-amine
CID 115814659
N-[(1S)-1-(3-ethoxyphenyl)ethyl]butan-1-amine
CID 99695653
3-[1-(propylamino)ethyl]benzenethiol
CID 64666341
N-butyl-2-[3-[1-(propylamino)ethyl]phenoxy]acetamide
CID 61485837

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-but-3-en-2-yloxyphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3-but-3-en-2-yloxyphenyl)ethyl]propan-1-amine (CID 62389853) is N-[1-(3-but-3-en-2-yloxyphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-but-3-en-2-yloxyphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-but-3-en-2-yloxyphenyl)ethyl]propan-1-amine is C=CC(C)Oc1cccc(C(C)NCCC)c1.
What is the InChIKey of N-[1-(3-but-3-en-2-yloxyphenyl)ethyl]propan-1-amine?
The InChIKey is RYTLCUDHVASYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-5-10-16-13(4)14-8-7-9-15(11-14)17-12(3)6-2/h6-9,11-13,16H,2,5,10H2,1,3-4H3.
What are the key properties of N-[1-(3-but-3-en-2-yloxyphenyl)ethyl]propan-1-amine?
N-[1-(3-but-3-en-2-yloxyphenyl)ethyl]propan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-but-3-en-2-yloxyphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 62389853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).