2-(3-chlorophenyl)-N-(2-methoxyethyl)-2-propylpentan-1-amine

C17H28ClNO — CID 63517133

IUPAC2-(3-chlorophenyl)-N-(2-methoxyethyl)-2-propylpentan-1-amine
SMILESCCCC(CCC)(CNCCOC)c1cccc(Cl)c1
InChIInChI=1S/C17H28ClNO/c1-4-9-17(10-5-2,14-19-11-12-20-3)15-7-6-8-16(18)13-15/h6-8,13,19H,4-5,9-12,14H2,1-3H3
InChIKeyITYYDDYWJYUZAD-UHFFFAOYSA-N
MW297.87 g/mol
LogP4.41
Rot. Bonds10

About 2-(3-chlorophenyl)-N-(2-methoxyethyl)-2-propylpentan-1-amine

2-(3-chlorophenyl)-N-(2-methoxyethyl)-2-propylpentan-1-amine (PubChem CID 63517133) has the molecular formula C17H28ClNO and a molecular weight of 297.87 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(2-methoxyethyl)-2-propylpentan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(2-methoxyethyl)-2-propylpentan-1-amine
PubChem CID63517133
Molecular FormulaC17H28ClNO
Molecular Weight297.87 g/mol
Exact Mass297.19
IUPAC Name2-(3-chlorophenyl)-N-(2-methoxyethyl)-2-propylpentan-1-amine
SMILESCCCC(CCC)(CNCCOC)c1cccc(Cl)c1
InChIInChI=1S/C17H28ClNO/c1-4-9-17(10-5-2,14-19-11-12-20-3)15-7-6-8-16(18)13-15/h6-8,13,19H,4-5,9-12,14H2,1-3H3
InChIKeyITYYDDYWJYUZAD-UHFFFAOYSA-N
XLogP4.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.87
LogP ≤ 54.41
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-(3-chlorophenyl)-1-(2-methoxyethylamino)propan-2-ol
CID 62772834
2-ethyl-N-(2-methoxyethyl)-2-phenylpentan-1-amine
CID 55107234
2-(4-fluorophenyl)-N-(2-methoxyethyl)-2-propylpentan-1-amine
CID 62596406
2-ethyl-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 62596429
2-ethyl-2-(3-fluorophenyl)-N-(2-methoxyethyl)butan-1-amine
CID 62596985
2-(3-methylphenyl)-N,2-dipropylpentan-1-amine
CID 63510909
2-ethyl-4-methoxy-2-phenyl-N-propylbutan-1-amine
CID 62725061
3-(3-chlorophenyl)-3-ethylpentan-1-amine
CID 83823434
(2R)-2-(3-chlorophenyl)pentan-2-ol
CID 93299128
1-[1-bromo-2-(bromomethyl)-3-methoxypropan-2-yl]-3-chlorobenzene
CID 103985355
2-(3-chlorophenyl)-2-fluoropentan-1-amine
CID 112567951
1-chloro-3-[1-chloro-2-(chloromethyl)hexan-2-yl]benzene
CID 79453495

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(2-methoxyethyl)-2-propylpentan-1-amine?
The IUPAC name of 2-(3-chlorophenyl)-N-(2-methoxyethyl)-2-propylpentan-1-amine (CID 63517133) is 2-(3-chlorophenyl)-N-(2-methoxyethyl)-2-propylpentan-1-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(2-methoxyethyl)-2-propylpentan-1-amine?
The canonical SMILES for 2-(3-chlorophenyl)-N-(2-methoxyethyl)-2-propylpentan-1-amine is CCCC(CCC)(CNCCOC)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-(2-methoxyethyl)-2-propylpentan-1-amine?
The InChIKey is ITYYDDYWJYUZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClNO/c1-4-9-17(10-5-2,14-19-11-12-20-3)15-7-6-8-16(18)13-15/h6-8,13,19H,4-5,9-12,14H2,1-3H3.
What are the key properties of 2-(3-chlorophenyl)-N-(2-methoxyethyl)-2-propylpentan-1-amine?
2-(3-chlorophenyl)-N-(2-methoxyethyl)-2-propylpentan-1-amine has a molecular weight of 297.87 g/mol, XLogP of 4.41, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(2-methoxyethyl)-2-propylpentan-1-amine is sourced from PubChem (CID 63517133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).