2-(2-chlorophenyl)-5-(2-methoxyethoxy)pentan-1-amine

C14H22ClNO2 — CID 103412655

IUPAC2-(2-chlorophenyl)-5-(2-methoxyethoxy)pentan-1-amine
SMILESCOCCOCCCC(CN)c1ccccc1Cl
InChIInChI=1S/C14H22ClNO2/c1-17-9-10-18-8-4-5-12(11-16)13-6-2-3-7-14(13)15/h2-3,6-7,12H,4-5,8-11,16H2,1H3
InChIKeyIOCMMDXOXOWDCH-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.83
Rot. Bonds9

About 2-(2-chlorophenyl)-5-(2-methoxyethoxy)pentan-1-amine

2-(2-chlorophenyl)-5-(2-methoxyethoxy)pentan-1-amine (PubChem CID 103412655) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-(2-methoxyethoxy)pentan-1-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-(2-methoxyethoxy)pentan-1-amine
PubChem CID103412655
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name2-(2-chlorophenyl)-5-(2-methoxyethoxy)pentan-1-amine
SMILESCOCCOCCCC(CN)c1ccccc1Cl
InChIInChI=1S/C14H22ClNO2/c1-17-9-10-18-8-4-5-12(11-16)13-6-2-3-7-14(13)15/h2-3,6-7,12H,4-5,8-11,16H2,1H3
InChIKeyIOCMMDXOXOWDCH-UHFFFAOYSA-N
XLogP2.83
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chlorophenyl)-4-(3-methylbutoxy)butan-1-amine
CID 79449337
2-(3-chlorophenyl)-5-(2-methoxyethoxy)pentan-1-amine
CID 103412633
2-(2-chlorophenyl)nonan-1-amine
CID 79448666
2-(2-chlorophenyl)-5-methoxy-N-(2-methoxyethyl)pentan-1-amine
CID 79449341
1-[2-bromo-1-[2-(3-methoxypropoxy)ethoxy]ethyl]-2-chlorobenzene
CID 103180209
1-chloro-2-[2-iodo-1-[3-(2-methoxyethoxy)propoxy]ethyl]benzene
CID 103405085
2-(2-fluorophenyl)-6-methoxyhexan-1-amine
CID 104649507
[1-(2-chlorophenyl)-4-methoxybutyl]hydrazine
CID 105211131
[1-bromo-5-(2-methoxyethoxy)pentan-2-yl]benzene
CID 103415412
2-(2-chlorophenyl)-3-(cyclopropylmethoxy)propan-1-amine
CID 106930930
2-[(2-chlorophenyl)methyl]-5-(2-methoxyethoxy)pentanoic acid
CID 103410965
2-(2-chlorophenyl)-5-ethoxy-N-propylpentan-1-amine
CID 79448818

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-(2-methoxyethoxy)pentan-1-amine?
The IUPAC name of 2-(2-chlorophenyl)-5-(2-methoxyethoxy)pentan-1-amine (CID 103412655) is 2-(2-chlorophenyl)-5-(2-methoxyethoxy)pentan-1-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-5-(2-methoxyethoxy)pentan-1-amine?
The canonical SMILES for 2-(2-chlorophenyl)-5-(2-methoxyethoxy)pentan-1-amine is COCCOCCCC(CN)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-5-(2-methoxyethoxy)pentan-1-amine?
The InChIKey is IOCMMDXOXOWDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-17-9-10-18-8-4-5-12(11-16)13-6-2-3-7-14(13)15/h2-3,6-7,12H,4-5,8-11,16H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-5-(2-methoxyethoxy)pentan-1-amine?
2-(2-chlorophenyl)-5-(2-methoxyethoxy)pentan-1-amine has a molecular weight of 271.79 g/mol, XLogP of 2.83, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-(2-methoxyethoxy)pentan-1-amine is sourced from PubChem (CID 103412655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).