2-(4-chlorophenyl)-5-(oxolan-2-yl)-N-propylpentan-1-amine

C18H28ClNO — CID 79432124

IUPAC2-(4-chlorophenyl)-5-(oxolan-2-yl)-N-propylpentan-1-amine
SMILESCCCNCC(CCCC1CCCO1)c1ccc(Cl)cc1
InChIInChI=1S/C18H28ClNO/c1-2-12-20-14-16(15-8-10-17(19)11-9-15)5-3-6-18-7-4-13-21-18/h8-11,16,18,20H,2-7,12-14H2,1H3
InChIKeyHAKGDWILWDWQLO-UHFFFAOYSA-N
MW309.88 g/mol
LogP4.77
Rot. Bonds9

About 2-(4-chlorophenyl)-5-(oxolan-2-yl)-N-propylpentan-1-amine

2-(4-chlorophenyl)-5-(oxolan-2-yl)-N-propylpentan-1-amine (PubChem CID 79432124) has the molecular formula C18H28ClNO and a molecular weight of 309.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-(oxolan-2-yl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-(oxolan-2-yl)-N-propylpentan-1-amine
PubChem CID79432124
Molecular FormulaC18H28ClNO
Molecular Weight309.88 g/mol
Exact Mass309.19
IUPAC Name2-(4-chlorophenyl)-5-(oxolan-2-yl)-N-propylpentan-1-amine
SMILESCCCNCC(CCCC1CCCO1)c1ccc(Cl)cc1
InChIInChI=1S/C18H28ClNO/c1-2-12-20-14-16(15-8-10-17(19)11-9-15)5-3-6-18-7-4-13-21-18/h8-11,16,18,20H,2-7,12-14H2,1H3
InChIKeyHAKGDWILWDWQLO-UHFFFAOYSA-N
XLogP4.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 79437798
2-(2-methylphenyl)-5-(oxolan-2-yl)-N-propylpentan-1-amine
CID 79424185
N-methyl-5-(oxolan-2-yl)-2-phenylpentan-1-amine
CID 65431144
2-(4-chlorophenyl)-N-propylnonan-1-amine
CID 79438605
1-(2,5-dichlorophenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 104993435
1-(4-chlorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 65156023
1-(2-bromo-4-chlorophenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 107993677
2-[3-bromo-3-(4-chlorophenyl)propyl]oxolane
CID 65158160
1-(4-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 65167488
2-(3-chlorophenyl)-N-(2-methylpropyl)-4-(oxolan-2-yl)butan-1-amine
CID 79433188
1-(3,5-dichlorophenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 104993774
N-[2-(4-fluorophenyl)-2-(oxolan-2-ylmethoxy)ethyl]propan-1-amine
CID 62107771

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-(oxolan-2-yl)-N-propylpentan-1-amine?
The IUPAC name of 2-(4-chlorophenyl)-5-(oxolan-2-yl)-N-propylpentan-1-amine (CID 79432124) is 2-(4-chlorophenyl)-5-(oxolan-2-yl)-N-propylpentan-1-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-5-(oxolan-2-yl)-N-propylpentan-1-amine?
The canonical SMILES for 2-(4-chlorophenyl)-5-(oxolan-2-yl)-N-propylpentan-1-amine is CCCNCC(CCCC1CCCO1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-(oxolan-2-yl)-N-propylpentan-1-amine?
The InChIKey is HAKGDWILWDWQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClNO/c1-2-12-20-14-16(15-8-10-17(19)11-9-15)5-3-6-18-7-4-13-21-18/h8-11,16,18,20H,2-7,12-14H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-5-(oxolan-2-yl)-N-propylpentan-1-amine?
2-(4-chlorophenyl)-5-(oxolan-2-yl)-N-propylpentan-1-amine has a molecular weight of 309.88 g/mol, XLogP of 4.77, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-(oxolan-2-yl)-N-propylpentan-1-amine is sourced from PubChem (CID 79432124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).