N-[(3,5-difluoro-4-pent-4-enoxyphenyl)methyl]propan-2-amine

C15H21F2NO — CID 79892106

IUPACN-[(3,5-difluoro-4-pent-4-enoxyphenyl)methyl]propan-2-amine
SMILESC=CCCCOc1c(F)cc(CNC(C)C)cc1F
InChIInChI=1S/C15H21F2NO/c1-4-5-6-7-19-15-13(16)8-12(9-14(15)17)10-18-11(2)3/h4,8-9,11,18H,1,5-7,10H2,2-3H3
InChIKeyVZIBAZBQAPJZML-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.81
Rot. Bonds8

About N-[(3,5-difluoro-4-pent-4-enoxyphenyl)methyl]propan-2-amine

N-[(3,5-difluoro-4-pent-4-enoxyphenyl)methyl]propan-2-amine (PubChem CID 79892106) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is N-[(3,5-difluoro-4-pent-4-enoxyphenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(3,5-difluoro-4-pent-4-enoxyphenyl)methyl]propan-2-amine
PubChem CID79892106
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC NameN-[(3,5-difluoro-4-pent-4-enoxyphenyl)methyl]propan-2-amine
SMILESC=CCCCOc1c(F)cc(CNC(C)C)cc1F
InChIInChI=1S/C15H21F2NO/c1-4-5-6-7-19-15-13(16)8-12(9-14(15)17)10-18-11(2)3/h4,8-9,11,18H,1,5-7,10H2,2-3H3
InChIKeyVZIBAZBQAPJZML-UHFFFAOYSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenoxy]butan-1-ol
CID 79891366
5-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenoxy]pentan-1-ol
CID 79892333
1-(3,5-difluoro-4-hept-6-enoxyphenyl)-N-methylmethanamine
CID 107006244
N-[(3,5-dibromo-4-but-3-enoxyphenyl)methyl]propan-2-amine
CID 107742720
N-[[3,5-difluoro-4-(3-methylbut-2-enoxy)phenyl]methyl]propan-2-amine
CID 79891870
N-[(5-chloro-3-methoxy-2-pent-4-enoxyphenyl)methyl]propan-2-amine
CID 104664905
N-[[3,5-difluoro-4-(2-imidazol-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 79883268
N-[(3,5-dimethyl-4-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 60880054
N-[(4-hept-6-enoxy-3-methoxyphenyl)methyl]propan-2-amine
CID 107006062
3,5-difluoro-4-pent-4-enoxybenzenesulfonamide
CID 82919223
N-[[3,5-difluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]propan-2-amine
CID 79892023
N-[[3,5-difluoro-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]propan-2-amine
CID 79883132

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluoro-4-pent-4-enoxyphenyl)methyl]propan-2-amine?
The IUPAC name of N-[(3,5-difluoro-4-pent-4-enoxyphenyl)methyl]propan-2-amine (CID 79892106) is N-[(3,5-difluoro-4-pent-4-enoxyphenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(3,5-difluoro-4-pent-4-enoxyphenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(3,5-difluoro-4-pent-4-enoxyphenyl)methyl]propan-2-amine is C=CCCCOc1c(F)cc(CNC(C)C)cc1F.
What is the InChIKey of N-[(3,5-difluoro-4-pent-4-enoxyphenyl)methyl]propan-2-amine?
The InChIKey is VZIBAZBQAPJZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-4-5-6-7-19-15-13(16)8-12(9-14(15)17)10-18-11(2)3/h4,8-9,11,18H,1,5-7,10H2,2-3H3.
What are the key properties of N-[(3,5-difluoro-4-pent-4-enoxyphenyl)methyl]propan-2-amine?
N-[(3,5-difluoro-4-pent-4-enoxyphenyl)methyl]propan-2-amine has a molecular weight of 269.33 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluoro-4-pent-4-enoxyphenyl)methyl]propan-2-amine is sourced from PubChem (CID 79892106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).