1-[1-(4-methoxyphenyl)propan-2-ylamino]-3-methylidenepent-4-en-2-ol

C16H23NO2 — CID 123192488

IUPAC1-[1-(4-methoxyphenyl)propan-2-ylamino]-3-methylidenepent-4-en-2-ol
SMILESC=CC(=C)C(O)CNC(C)Cc1ccc(OC)cc1
InChIInChI=1S/C16H23NO2/c1-5-12(2)16(18)11-17-13(3)10-14-6-8-15(19-4)9-7-14/h5-9,13,16-18H,1-2,10-11H2,3-4H3
InChIKeyRDNBXNIFMNQHLY-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.32
Rot. Bonds8

About 1-[1-(4-methoxyphenyl)propan-2-ylamino]-3-methylidenepent-4-en-2-ol

1-[1-(4-methoxyphenyl)propan-2-ylamino]-3-methylidenepent-4-en-2-ol (PubChem CID 123192488) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)propan-2-ylamino]-3-methylidenepent-4-en-2-ol.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)propan-2-ylamino]-3-methylidenepent-4-en-2-ol
PubChem CID123192488
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-[1-(4-methoxyphenyl)propan-2-ylamino]-3-methylidenepent-4-en-2-ol
SMILESC=CC(=C)C(O)CNC(C)Cc1ccc(OC)cc1
InChIInChI=1S/C16H23NO2/c1-5-12(2)16(18)11-17-13(3)10-14-6-8-15(19-4)9-7-14/h5-9,13,16-18H,1-2,10-11H2,3-4H3
InChIKeyRDNBXNIFMNQHLY-UHFFFAOYSA-N
XLogP2.32
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[4-(4-methoxyphenyl)phenyl]propan-2-yl]-2-methylpropan-1-amine
CID 82262403
1-(4-methoxyphenyl)-N-(2-methoxypropyl)propan-2-amine
CID 102696593
(2S)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962702
(2R)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962704
[4-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]phenyl]methanol
CID 107230230
1-(4-methoxyphenyl)propan-2-ylhydrazine;dihydrochloride
CID 70058414
1-(3-amino-4-hydroxyphenyl)-2-hydroxy-3-[1-(4-methoxyphenyl)propan-2-ylamino]propan-1-one
CID 141230436
2-[2-[1-(4-methoxyphenyl)propan-2-ylamino]ethoxy]ethanol
CID 43508806
3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]hexan-1-ol
CID 103787341
(1R)-1-(3-chlorophenyl)-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethanol
CID 70005129
(2S)-N-[(4-methoxyphenyl)methyl]pent-4-en-2-amine
CID 130367202
1-(4-methoxyphenyl)-N-(1,1,2,2,2-pentadeuterioethyl)propan-2-amine
CID 71316455

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)propan-2-ylamino]-3-methylidenepent-4-en-2-ol?
The IUPAC name of 1-[1-(4-methoxyphenyl)propan-2-ylamino]-3-methylidenepent-4-en-2-ol (CID 123192488) is 1-[1-(4-methoxyphenyl)propan-2-ylamino]-3-methylidenepent-4-en-2-ol.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)propan-2-ylamino]-3-methylidenepent-4-en-2-ol?
The canonical SMILES for 1-[1-(4-methoxyphenyl)propan-2-ylamino]-3-methylidenepent-4-en-2-ol is C=CC(=C)C(O)CNC(C)Cc1ccc(OC)cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)propan-2-ylamino]-3-methylidenepent-4-en-2-ol?
The InChIKey is RDNBXNIFMNQHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-5-12(2)16(18)11-17-13(3)10-14-6-8-15(19-4)9-7-14/h5-9,13,16-18H,1-2,10-11H2,3-4H3.
What are the key properties of 1-[1-(4-methoxyphenyl)propan-2-ylamino]-3-methylidenepent-4-en-2-ol?
1-[1-(4-methoxyphenyl)propan-2-ylamino]-3-methylidenepent-4-en-2-ol has a molecular weight of 261.37 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)propan-2-ylamino]-3-methylidenepent-4-en-2-ol is sourced from PubChem (CID 123192488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).