(Z)-5-(4-chloro-3-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine

C14H19ClFN — CID 107889142

IUPAC(Z)-5-(4-chloro-3-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine
SMILESCCNCC/C=C(/C)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C14H19ClFN/c1-3-17-8-4-5-11(2)9-12-6-7-13(15)14(16)10-12/h5-7,10,17H,3-4,8-9H2,1-2H3/b11-5-
InChIKeyKZXNPSCAUWWOKD-WZUFQYTHSA-N
MW255.76 g/mol
LogP3.97
Rot. Bonds6

About (Z)-5-(4-chloro-3-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine

(Z)-5-(4-chloro-3-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine (PubChem CID 107889142) has the molecular formula C14H19ClFN and a molecular weight of 255.76 g/mol. Its IUPAC name is (Z)-5-(4-chloro-3-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-5-(4-chloro-3-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine
PubChem CID107889142
Molecular FormulaC14H19ClFN
Molecular Weight255.76 g/mol
Exact Mass255.12
IUPAC Name(Z)-5-(4-chloro-3-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine
SMILESCCNCC/C=C(/C)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C14H19ClFN/c1-3-17-8-4-5-11(2)9-12-6-7-13(15)14(16)10-12/h5-7,10,17H,3-4,8-9H2,1-2H3/b11-5-
InChIKeyKZXNPSCAUWWOKD-WZUFQYTHSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.76
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

(Z)-5-(4-chloro-3-fluorophenyl)-4-methyl-N-propylpent-3-en-1-amine
CID 114013103
N-ethyl-5-(3-fluoro-4-methoxyphenyl)-4-methylpent-3-en-1-amine
CID 79599741
5-(2,5-dichlorophenyl)-N-ethyl-4-methylpent-3-en-1-amine
CID 79598459
(Z)-5-(2-chloro-3-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine
CID 112654998
5-(3-fluoro-4-methoxyphenyl)-4-methyl-N-propylpent-3-en-1-amine
CID 79598736
5-(4-bromo-2-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine
CID 79599622
4-[5-(ethylamino)-2-methylpent-2-enyl]pyridin-2-amine
CID 79598454
5-(3-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine
CID 79607656
(Z)-5-(3-fluorophenyl)-4-methyl-N-propylpent-3-en-1-amine
CID 79599377
N-[[1-[(4-chloro-3-fluorophenyl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 107883316
4-[(Z)-5-bromo-2-methylpent-2-enyl]-1,2-difluorobenzene
CID 82934801
N-ethyl-4-methyl-5-(2-methylphenyl)pent-3-en-1-amine
CID 79599356

Frequently Asked Questions

What is the IUPAC name of (Z)-5-(4-chloro-3-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine?
The IUPAC name of (Z)-5-(4-chloro-3-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine (CID 107889142) is (Z)-5-(4-chloro-3-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine.
What is the SMILES notation for (Z)-5-(4-chloro-3-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine?
The canonical SMILES for (Z)-5-(4-chloro-3-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine is CCNCC/C=C(/C)Cc1ccc(Cl)c(F)c1.
What is the InChIKey of (Z)-5-(4-chloro-3-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine?
The InChIKey is KZXNPSCAUWWOKD-WZUFQYTHSA-N. The full InChI is InChI=1S/C14H19ClFN/c1-3-17-8-4-5-11(2)9-12-6-7-13(15)14(16)10-12/h5-7,10,17H,3-4,8-9H2,1-2H3/b11-5-.
What are the key properties of (Z)-5-(4-chloro-3-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine?
(Z)-5-(4-chloro-3-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine has a molecular weight of 255.76 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(4-chloro-3-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine is sourced from PubChem (CID 107889142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).