5-(4-chlorophenoxy)-N-methylpentan-1-amine

C12H18ClNO — CID 62454431

IUPAC5-(4-chlorophenoxy)-N-methylpentan-1-amine
SMILESCNCCCCCOc1ccc(Cl)cc1
InChIInChI=1S/C12H18ClNO/c1-14-9-3-2-4-10-15-12-7-5-11(13)6-8-12/h5-8,14H,2-4,9-10H2,1H3
InChIKeyRUQIVSYDMYFNIE-UHFFFAOYSA-N
MW227.74 g/mol
LogP3.11
Rot. Bonds7

About 5-(4-chlorophenoxy)-N-methylpentan-1-amine

5-(4-chlorophenoxy)-N-methylpentan-1-amine (PubChem CID 62454431) has the molecular formula C12H18ClNO and a molecular weight of 227.74 g/mol. Its IUPAC name is 5-(4-chlorophenoxy)-N-methylpentan-1-amine.

Molecular Properties

Compound Name5-(4-chlorophenoxy)-N-methylpentan-1-amine
PubChem CID62454431
Molecular FormulaC12H18ClNO
Molecular Weight227.74 g/mol
Exact Mass227.11
IUPAC Name5-(4-chlorophenoxy)-N-methylpentan-1-amine
SMILESCNCCCCCOc1ccc(Cl)cc1
InChIInChI=1S/C12H18ClNO/c1-14-9-3-2-4-10-15-12-7-5-11(13)6-8-12/h5-8,14H,2-4,9-10H2,1H3
InChIKeyRUQIVSYDMYFNIE-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 53.11
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

5-(4-methoxyphenoxy)-N-methylpentan-1-amine
CID 62458714
5-(4-chlorophenoxy)-N-propylpentan-1-amine
CID 62454599
4-(4-tert-butylphenoxy)-N-methylbutan-1-amine
CID 62454221
N-methyl-4-pyridin-4-yloxybutan-1-amine
CID 174683460
4-[(4-chlorophenyl)methoxy]-N-methylbutan-1-amine
CID 65125313
N-[4-(4-chlorophenoxy)butyl]-3-methylbutan-1-amine
CID 82104298
N-[4-(4-chlorophenoxy)butyl]cyclopropanamine
CID 62454256
N-[4-(4-chlorophenoxy)butyl]-2-methylaniline
CID 82096216
N-[4-(4-chlorophenoxy)butyl]-3,4-dimethylaniline
CID 82095955
4-(3-bromo-4-fluorophenoxy)-N-methylbutan-1-amine
CID 83234496
N-methyl-3-phenoxypropan-1-amine
CID 22067856
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-(methylamino)butanamide
CID 54868859

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenoxy)-N-methylpentan-1-amine?
The IUPAC name of 5-(4-chlorophenoxy)-N-methylpentan-1-amine (CID 62454431) is 5-(4-chlorophenoxy)-N-methylpentan-1-amine.
What is the SMILES notation for 5-(4-chlorophenoxy)-N-methylpentan-1-amine?
The canonical SMILES for 5-(4-chlorophenoxy)-N-methylpentan-1-amine is CNCCCCCOc1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenoxy)-N-methylpentan-1-amine?
The InChIKey is RUQIVSYDMYFNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-14-9-3-2-4-10-15-12-7-5-11(13)6-8-12/h5-8,14H,2-4,9-10H2,1H3.
What are the key properties of 5-(4-chlorophenoxy)-N-methylpentan-1-amine?
5-(4-chlorophenoxy)-N-methylpentan-1-amine has a molecular weight of 227.74 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenoxy)-N-methylpentan-1-amine is sourced from PubChem (CID 62454431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).