1-(4-chlorophenyl)-5-methoxy-N-propylpentan-2-amine

C15H24ClNO — CID 62601304

IUPAC1-(4-chlorophenyl)-5-methoxy-N-propylpentan-2-amine
SMILESCCCNC(CCCOC)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H24ClNO/c1-3-10-17-15(5-4-11-18-2)12-13-6-8-14(16)9-7-13/h6-9,15,17H,3-5,10-12H2,1-2H3
InChIKeyNRYGJQQBAJVPLC-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.68
Rot. Bonds9

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

1-(4-chlorophenyl)-5-methoxy-N-propylpentan-2-amine (PubChem CID 62601304) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-methoxy-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-methoxy-N-propylpentan-2-amine
PubChem CID62601304
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name1-(4-chlorophenyl)-5-methoxy-N-propylpentan-2-amine
SMILESCCCNC(CCCOC)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H24ClNO/c1-3-10-17-15(5-4-11-18-2)12-13-6-8-14(16)9-7-13/h6-9,15,17H,3-5,10-12H2,1-2H3
InChIKeyNRYGJQQBAJVPLC-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.68
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-methoxy-1-(4-methoxyphenyl)-N-propylpentan-2-amine
CID 112688247
1-(4-chlorophenyl)-N-propyldecan-2-amine
CID 63413044
1-(4-chlorophenyl)-5,5-dimethyl-N-propylhexan-2-amine
CID 63412958
1-(2-chloro-6-fluorophenyl)-5-methoxy-N-propylpentan-2-amine
CID 55145614
N-ethyl-1-(4-ethylphenyl)-5-methoxypentan-2-amine
CID 65091874
4-(4-chlorophenyl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine
CID 79093417
1-(2-chloro-4-methylphenyl)-5-methoxy-N-propylpentan-2-amine
CID 106866613
4-methoxy-N-propyl-1-pyridin-4-ylbutan-2-amine
CID 62605290
1-methoxy-7-phenyl-N-propylheptan-4-amine
CID 65092055
1-(3-chlorophenyl)-5-ethoxy-N-propylpentan-2-amine
CID 105086143
N-[1-(4-chlorophenyl)propan-2-yl]-4-methoxybutan-1-amine
CID 103910375
1-(4-chlorophenoxy)-3-methoxy-N-propylpropan-2-amine
CID 105165730

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-methoxy-N-propylpentan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-5-methoxy-N-propylpentan-2-amine (CID 62601304) is 1-(4-chlorophenyl)-5-methoxy-N-propylpentan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-5-methoxy-N-propylpentan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-5-methoxy-N-propylpentan-2-amine is CCCNC(CCCOC)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-methoxy-N-propylpentan-2-amine?
The InChIKey is NRYGJQQBAJVPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-3-10-17-15(5-4-11-18-2)12-13-6-8-14(16)9-7-13/h6-9,15,17H,3-5,10-12H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-5-methoxy-N-propylpentan-2-amine?
1-(4-chlorophenyl)-5-methoxy-N-propylpentan-2-amine has a molecular weight of 269.82 g/mol, XLogP of 3.68, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-methoxy-N-propylpentan-2-amine is sourced from PubChem (CID 62601304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).