4-methyl-1-phenoxy-N-propylpent-4-en-2-amine

C15H23NO — CID 79180343

IUPAC4-methyl-1-phenoxy-N-propylpent-4-en-2-amine
SMILESC=C(C)CC(COc1ccccc1)NCCC
InChIInChI=1S/C15H23NO/c1-4-10-16-14(11-13(2)3)12-17-15-8-6-5-7-9-15/h5-9,14,16H,2,4,10-12H2,1,3H3
InChIKeyKGCJKEFPJFCNQT-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.40
Rot. Bonds8

About 4-methyl-1-phenoxy-N-propylpent-4-en-2-amine

4-methyl-1-phenoxy-N-propylpent-4-en-2-amine (PubChem CID 79180343) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 4-methyl-1-phenoxy-N-propylpent-4-en-2-amine.

Molecular Properties

Compound Name4-methyl-1-phenoxy-N-propylpent-4-en-2-amine
PubChem CID79180343
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name4-methyl-1-phenoxy-N-propylpent-4-en-2-amine
SMILESC=C(C)CC(COc1ccccc1)NCCC
InChIInChI=1S/C15H23NO/c1-4-10-16-14(11-13(2)3)12-17-15-8-6-5-7-9-15/h5-9,14,16H,2,4,10-12H2,1,3H3
InChIKeyKGCJKEFPJFCNQT-UHFFFAOYSA-N
XLogP3.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.40
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-phenoxy-N-propylpent-4-yn-2-amine
CID 62717059
1-phenoxy-N-propyldecan-2-amine
CID 63416663
5-methoxy-1-phenoxy-N-propylpentan-2-amine
CID 112688298
1-(2-chlorophenyl)-3-phenoxy-N-propylpropan-2-amine
CID 63416575
1-(2-methoxyphenyl)-4-methyl-N-propylpent-4-en-2-amine
CID 79179978
N-ethyl-3-methyl-1-phenoxybut-3-en-2-amine
CID 79190639
4-methyl-1-(2-methylphenyl)sulfanyl-N-propylpent-4-en-2-amine
CID 79185729
1-(4-phenoxyphenoxy)-N-propylpropan-2-amine
CID 63474715
1-(2-bromophenyl)sulfanyl-4-methyl-N-propylpent-4-en-2-amine
CID 79186666
1-(4-butoxyphenyl)-3-methyl-N-propylbut-3-en-1-amine
CID 105163105
1-(3-methylphenoxy)-N-propylbutan-2-amine
CID 62038069
4-(4-propoxyphenoxy)-3-(propylamino)butan-1-ol
CID 64899515

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-phenoxy-N-propylpent-4-en-2-amine?
The IUPAC name of 4-methyl-1-phenoxy-N-propylpent-4-en-2-amine (CID 79180343) is 4-methyl-1-phenoxy-N-propylpent-4-en-2-amine.
What is the SMILES notation for 4-methyl-1-phenoxy-N-propylpent-4-en-2-amine?
The canonical SMILES for 4-methyl-1-phenoxy-N-propylpent-4-en-2-amine is C=C(C)CC(COc1ccccc1)NCCC.
What is the InChIKey of 4-methyl-1-phenoxy-N-propylpent-4-en-2-amine?
The InChIKey is KGCJKEFPJFCNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-10-16-14(11-13(2)3)12-17-15-8-6-5-7-9-15/h5-9,14,16H,2,4,10-12H2,1,3H3.
What are the key properties of 4-methyl-1-phenoxy-N-propylpent-4-en-2-amine?
4-methyl-1-phenoxy-N-propylpent-4-en-2-amine has a molecular weight of 233.36 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-phenoxy-N-propylpent-4-en-2-amine is sourced from PubChem (CID 79180343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).