(Z)-5-(4-chloro-3-fluorophenyl)-4-methyl-N-propylpent-3-en-1-amine

C15H21ClFN — CID 114013103

IUPAC(Z)-5-(4-chloro-3-fluorophenyl)-4-methyl-N-propylpent-3-en-1-amine
SMILESCCCNCC/C=C(/C)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C15H21ClFN/c1-3-8-18-9-4-5-12(2)10-13-6-7-14(16)15(17)11-13/h5-7,11,18H,3-4,8-10H2,1-2H3/b12-5-
InChIKeyQFPWZWJIEKSLAQ-XGICHPGQSA-N
MW269.79 g/mol
LogP4.36
Rot. Bonds7

About (Z)-5-(4-chloro-3-fluorophenyl)-4-methyl-N-propylpent-3-en-1-amine

(Z)-5-(4-chloro-3-fluorophenyl)-4-methyl-N-propylpent-3-en-1-amine (PubChem CID 114013103) has the molecular formula C15H21ClFN and a molecular weight of 269.79 g/mol. Its IUPAC name is (Z)-5-(4-chloro-3-fluorophenyl)-4-methyl-N-propylpent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-5-(4-chloro-3-fluorophenyl)-4-methyl-N-propylpent-3-en-1-amine
PubChem CID114013103
Molecular FormulaC15H21ClFN
Molecular Weight269.79 g/mol
Exact Mass269.13
IUPAC Name(Z)-5-(4-chloro-3-fluorophenyl)-4-methyl-N-propylpent-3-en-1-amine
SMILESCCCNCC/C=C(/C)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C15H21ClFN/c1-3-8-18-9-4-5-12(2)10-13-6-7-14(16)15(17)11-13/h5-7,11,18H,3-4,8-10H2,1-2H3/b12-5-
InChIKeyQFPWZWJIEKSLAQ-XGICHPGQSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 54.36
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)-N-ethyl-4-methylpent-3-en-1-amine
CID 107889142
5-(3-fluoro-4-methoxyphenyl)-4-methyl-N-propylpent-3-en-1-amine
CID 79598736
(Z)-5-(3-fluorophenyl)-4-methyl-N-propylpent-3-en-1-amine
CID 79599377
3-(4-chloro-3-fluorophenyl)-N-propylpropan-1-amine
CID 107886749
N-ethyl-5-(3-fluoro-4-methoxyphenyl)-4-methylpent-3-en-1-amine
CID 79599741
4-[2-methyl-5-(propylamino)pent-2-enyl]pyridin-2-amine
CID 79599107
5-(3-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine
CID 79607656
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
4-[(Z)-5-bromo-2-methylpent-2-enyl]-1,2-difluorobenzene
CID 82934801
(Z)-5-(5-chloro-2-fluorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
CID 103051630
5-(2,5-dichlorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
CID 79607900

Frequently Asked Questions

What is the IUPAC name of (Z)-5-(4-chloro-3-fluorophenyl)-4-methyl-N-propylpent-3-en-1-amine?
The IUPAC name of (Z)-5-(4-chloro-3-fluorophenyl)-4-methyl-N-propylpent-3-en-1-amine (CID 114013103) is (Z)-5-(4-chloro-3-fluorophenyl)-4-methyl-N-propylpent-3-en-1-amine.
What is the SMILES notation for (Z)-5-(4-chloro-3-fluorophenyl)-4-methyl-N-propylpent-3-en-1-amine?
The canonical SMILES for (Z)-5-(4-chloro-3-fluorophenyl)-4-methyl-N-propylpent-3-en-1-amine is CCCNCC/C=C(/C)Cc1ccc(Cl)c(F)c1.
What is the InChIKey of (Z)-5-(4-chloro-3-fluorophenyl)-4-methyl-N-propylpent-3-en-1-amine?
The InChIKey is QFPWZWJIEKSLAQ-XGICHPGQSA-N. The full InChI is InChI=1S/C15H21ClFN/c1-3-8-18-9-4-5-12(2)10-13-6-7-14(16)15(17)11-13/h5-7,11,18H,3-4,8-10H2,1-2H3/b12-5-.
What are the key properties of (Z)-5-(4-chloro-3-fluorophenyl)-4-methyl-N-propylpent-3-en-1-amine?
(Z)-5-(4-chloro-3-fluorophenyl)-4-methyl-N-propylpent-3-en-1-amine has a molecular weight of 269.79 g/mol, XLogP of 4.36, 7 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)-4-methyl-N-propylpent-3-en-1-amine is sourced from PubChem (CID 114013103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).