(Z)-4-(3-bromo-2,6-difluorophenyl)-N-propylpent-3-en-1-amine

C14H18BrF2N — CID 106943837

IUPAC(Z)-4-(3-bromo-2,6-difluorophenyl)-N-propylpent-3-en-1-amine
SMILESCCCNCC/C=C(/C)c1c(F)ccc(Br)c1F
InChIInChI=1S/C14H18BrF2N/c1-3-8-18-9-4-5-10(2)13-12(16)7-6-11(15)14(13)17/h5-7,18H,3-4,8-9H2,1-2H3/b10-5-
InChIKeyVQBNUPCZKPAKJB-YHYXMXQVSA-N
MW318.21 g/mol
LogP4.52
Rot. Bonds6

About (Z)-4-(3-bromo-2,6-difluorophenyl)-N-propylpent-3-en-1-amine

(Z)-4-(3-bromo-2,6-difluorophenyl)-N-propylpent-3-en-1-amine (PubChem CID 106943837) has the molecular formula C14H18BrF2N and a molecular weight of 318.21 g/mol. Its IUPAC name is (Z)-4-(3-bromo-2,6-difluorophenyl)-N-propylpent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-4-(3-bromo-2,6-difluorophenyl)-N-propylpent-3-en-1-amine
PubChem CID106943837
Molecular FormulaC14H18BrF2N
Molecular Weight318.21 g/mol
Exact Mass317.06
IUPAC Name(Z)-4-(3-bromo-2,6-difluorophenyl)-N-propylpent-3-en-1-amine
SMILESCCCNCC/C=C(/C)c1c(F)ccc(Br)c1F
InChIInChI=1S/C14H18BrF2N/c1-3-8-18-9-4-5-10(2)13-12(16)7-6-11(15)14(13)17/h5-7,18H,3-4,8-9H2,1-2H3/b10-5-
InChIKeyVQBNUPCZKPAKJB-YHYXMXQVSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-(2,5-difluorophenyl)-N-propylpent-3-en-1-amine
CID 79598982
N-[(Z)-4-(2,6-difluoro-3-methylphenyl)pent-3-enyl]cyclopropanamine
CID 82827774
5-(3-bromo-4-fluorophenyl)-N-propylpent-3-en-1-amine
CID 79593419
4-(2-chlorophenyl)-N-propylpent-3-en-1-amine
CID 79597836
5-(2-bromo-5-fluorophenyl)-N-propylpent-3-en-1-amine
CID 79591063
4-(2,3-difluorophenyl)-N-ethylpent-3-en-1-amine
CID 79599095
N-[(3-bromo-2,6-difluorophenyl)methyl]-3-methylbut-2-en-1-amine
CID 106263936
4-methyl-N-propylpent-3-en-1-amine
CID 62548656
(Z)-4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-propylpent-3-en-1-amine
CID 114666324
4-(1-methylimidazol-2-yl)-N-propylpent-3-en-1-amine
CID 79599262
(Z)-1-(3-bromo-2,6-difluorophenyl)-2-ethylbut-2-en-1-one
CID 106941899
(Z)-5-(4-chloro-3-fluorophenyl)-4-methyl-N-propylpent-3-en-1-amine
CID 114013103

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(3-bromo-2,6-difluorophenyl)-N-propylpent-3-en-1-amine?
The IUPAC name of (Z)-4-(3-bromo-2,6-difluorophenyl)-N-propylpent-3-en-1-amine (CID 106943837) is (Z)-4-(3-bromo-2,6-difluorophenyl)-N-propylpent-3-en-1-amine.
What is the SMILES notation for (Z)-4-(3-bromo-2,6-difluorophenyl)-N-propylpent-3-en-1-amine?
The canonical SMILES for (Z)-4-(3-bromo-2,6-difluorophenyl)-N-propylpent-3-en-1-amine is CCCNCC/C=C(/C)c1c(F)ccc(Br)c1F.
What is the InChIKey of (Z)-4-(3-bromo-2,6-difluorophenyl)-N-propylpent-3-en-1-amine?
The InChIKey is VQBNUPCZKPAKJB-YHYXMXQVSA-N. The full InChI is InChI=1S/C14H18BrF2N/c1-3-8-18-9-4-5-10(2)13-12(16)7-6-11(15)14(13)17/h5-7,18H,3-4,8-9H2,1-2H3/b10-5-.
What are the key properties of (Z)-4-(3-bromo-2,6-difluorophenyl)-N-propylpent-3-en-1-amine?
(Z)-4-(3-bromo-2,6-difluorophenyl)-N-propylpent-3-en-1-amine has a molecular weight of 318.21 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(3-bromo-2,6-difluorophenyl)-N-propylpent-3-en-1-amine is sourced from PubChem (CID 106943837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).