(E)-5-(2,3-dichlorophenyl)-N-propylpent-3-en-1-amine

C14H19Cl2N — CID 107310959

IUPAC(E)-5-(2,3-dichlorophenyl)-N-propylpent-3-en-1-amine
SMILESCCCNCC/C=C/Cc1cccc(Cl)c1Cl
InChIInChI=1S/C14H19Cl2N/c1-2-10-17-11-5-3-4-7-12-8-6-9-13(15)14(12)16/h3-4,6,8-9,17H,2,5,7,10-11H2,1H3/b4-3+
InChIKeyDHDHPQGRYIOVHO-ONEGZZNKSA-N
MW272.22 g/mol
LogP4.48
Rot. Bonds7

About (E)-5-(2,3-dichlorophenyl)-N-propylpent-3-en-1-amine

(E)-5-(2,3-dichlorophenyl)-N-propylpent-3-en-1-amine (PubChem CID 107310959) has the molecular formula C14H19Cl2N and a molecular weight of 272.22 g/mol. Its IUPAC name is (E)-5-(2,3-dichlorophenyl)-N-propylpent-3-en-1-amine.

Molecular Properties

Compound Name(E)-5-(2,3-dichlorophenyl)-N-propylpent-3-en-1-amine
PubChem CID107310959
Molecular FormulaC14H19Cl2N
Molecular Weight272.22 g/mol
Exact Mass271.09
IUPAC Name(E)-5-(2,3-dichlorophenyl)-N-propylpent-3-en-1-amine
SMILESCCCNCC/C=C/Cc1cccc(Cl)c1Cl
InChIInChI=1S/C14H19Cl2N/c1-2-10-17-11-5-3-4-7-12-8-6-9-13(15)14(12)16/h3-4,6,8-9,17H,2,5,7,10-11H2,1H3/b4-3+
InChIKeyDHDHPQGRYIOVHO-ONEGZZNKSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 54.48
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

(E)-5-(2-chloro-5-fluorophenyl)-N-propylpent-3-en-1-amine
CID 102621727
(E)-5-(3-chloro-2-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine
CID 102864136
(E)-5-(2,6-difluorophenyl)-N-propylpent-3-en-1-amine
CID 114935075
N-propyl-5-quinolin-4-ylpent-3-en-1-amine
CID 79592748
N-propyl-5-thiophen-2-ylpent-3-en-1-amine
CID 79593415
4-(2-chlorophenyl)-N-propylpent-3-en-1-amine
CID 79597836
N-[[2-(2,3-dichlorophenyl)phenyl]methyl]propan-1-amine
CID 63424188
2-[(2,3-dichlorophenyl)methyl]-3,3-dimethyl-N-propylbutan-1-amine
CID 107309806
5-(2,6-dichlorophenyl)-N-(2-methylpropyl)pent-3-en-1-amine
CID 79598142
N-[[4-[(2,3-dichlorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 107305709
1-(2,3-dichlorophenyl)-N-propylbutan-2-amine
CID 107308434
N-[(2,6-dichlorophenyl)methyl]propan-1-amine;hydrochloride
CID 17290865

Frequently Asked Questions

What is the IUPAC name of (E)-5-(2,3-dichlorophenyl)-N-propylpent-3-en-1-amine?
The IUPAC name of (E)-5-(2,3-dichlorophenyl)-N-propylpent-3-en-1-amine (CID 107310959) is (E)-5-(2,3-dichlorophenyl)-N-propylpent-3-en-1-amine.
What is the SMILES notation for (E)-5-(2,3-dichlorophenyl)-N-propylpent-3-en-1-amine?
The canonical SMILES for (E)-5-(2,3-dichlorophenyl)-N-propylpent-3-en-1-amine is CCCNCC/C=C/Cc1cccc(Cl)c1Cl.
What is the InChIKey of (E)-5-(2,3-dichlorophenyl)-N-propylpent-3-en-1-amine?
The InChIKey is DHDHPQGRYIOVHO-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H19Cl2N/c1-2-10-17-11-5-3-4-7-12-8-6-9-13(15)14(12)16/h3-4,6,8-9,17H,2,5,7,10-11H2,1H3/b4-3+.
What are the key properties of (E)-5-(2,3-dichlorophenyl)-N-propylpent-3-en-1-amine?
(E)-5-(2,3-dichlorophenyl)-N-propylpent-3-en-1-amine has a molecular weight of 272.22 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(2,3-dichlorophenyl)-N-propylpent-3-en-1-amine is sourced from PubChem (CID 107310959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).