2-chloro-N-[2-(2-methylpropoxy)ethyl]butan-1-amine

C10H22ClNO — CID 106457838

IUPAC2-chloro-N-[2-(2-methylpropoxy)ethyl]butan-1-amine
SMILESCCC(Cl)CNCCOCC(C)C
InChIInChI=1S/C10H22ClNO/c1-4-10(11)7-12-5-6-13-8-9(2)3/h9-10,12H,4-8H2,1-3H3
InChIKeyXCIOSLSCNRBALH-UHFFFAOYSA-N
MW207.74 g/mol
LogP2.27
Rot. Bonds8

About 2-chloro-N-[2-(2-methylpropoxy)ethyl]butan-1-amine

2-chloro-N-[2-(2-methylpropoxy)ethyl]butan-1-amine (PubChem CID 106457838) has the molecular formula C10H22ClNO and a molecular weight of 207.74 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-methylpropoxy)ethyl]butan-1-amine.

Molecular Properties

Compound Name2-chloro-N-[2-(2-methylpropoxy)ethyl]butan-1-amine
PubChem CID106457838
Molecular FormulaC10H22ClNO
Molecular Weight207.74 g/mol
Exact Mass207.14
IUPAC Name2-chloro-N-[2-(2-methylpropoxy)ethyl]butan-1-amine
SMILESCCC(Cl)CNCCOCC(C)C
InChIInChI=1S/C10H22ClNO/c1-4-10(11)7-12-5-6-13-8-9(2)3/h9-10,12H,4-8H2,1-3H3
InChIKeyXCIOSLSCNRBALH-UHFFFAOYSA-N
XLogP2.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.74
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-1-amine
CID 106449858
2-ethoxy-N-[2-(2-methylpropoxy)ethyl]propan-1-amine
CID 106452518
1-[2-[2-[2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]ethoxy]ethoxy]ethylamino]-3-propoxypropan-2-ol
CID 146475954
2-chloro-N-[2-(2-methoxyethoxy)ethyl]-4-methylpentan-1-amine
CID 107155875
N-(2-ethoxyethyl)-2-methylpropan-1-amine
CID 43387935
2-(chloromethyl)-2-ethyl-N-[2-(2-methylpropoxy)ethyl]butan-1-amine
CID 106252397
N-[2-[2-(2-methylpropoxy)ethoxy]propyl]butan-1-amine
CID 106450242
N',N'-diethyl-N-[2-(2-methylpropoxy)ethyl]ethane-1,2-diamine
CID 62565030
N-[2-(2-methylpropoxy)ethyl]-3-propoxypropan-1-amine
CID 106452398
1-(4-methylpentoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
CID 115585726
2-chloro-N-ethylbutan-1-amine
CID 57191582
N-[2-(2-methylpropoxy)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 106451162

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-methylpropoxy)ethyl]butan-1-amine?
The IUPAC name of 2-chloro-N-[2-(2-methylpropoxy)ethyl]butan-1-amine (CID 106457838) is 2-chloro-N-[2-(2-methylpropoxy)ethyl]butan-1-amine.
What is the SMILES notation for 2-chloro-N-[2-(2-methylpropoxy)ethyl]butan-1-amine?
The canonical SMILES for 2-chloro-N-[2-(2-methylpropoxy)ethyl]butan-1-amine is CCC(Cl)CNCCOCC(C)C.
What is the InChIKey of 2-chloro-N-[2-(2-methylpropoxy)ethyl]butan-1-amine?
The InChIKey is XCIOSLSCNRBALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22ClNO/c1-4-10(11)7-12-5-6-13-8-9(2)3/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 2-chloro-N-[2-(2-methylpropoxy)ethyl]butan-1-amine?
2-chloro-N-[2-(2-methylpropoxy)ethyl]butan-1-amine has a molecular weight of 207.74 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2-methylpropoxy)ethyl]butan-1-amine is sourced from PubChem (CID 106457838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).