N-(2-butoxyethyl)-4-chlorobutan-2-amine

C10H22ClNO — CID 83186904

IUPACN-(2-butoxyethyl)-4-chlorobutan-2-amine
SMILESCCCCOCCNC(C)CCCl
InChIInChI=1S/C10H22ClNO/c1-3-4-8-13-9-7-12-10(2)5-6-11/h10,12H,3-9H2,1-2H3
InChIKeyJUHUBQWRQXQRCM-UHFFFAOYSA-N
MW207.74 g/mol
LogP2.41
Rot. Bonds9

About N-(2-butoxyethyl)-4-chlorobutan-2-amine

N-(2-butoxyethyl)-4-chlorobutan-2-amine (PubChem CID 83186904) has the molecular formula C10H22ClNO and a molecular weight of 207.74 g/mol. Its IUPAC name is N-(2-butoxyethyl)-4-chlorobutan-2-amine.

Molecular Properties

Compound NameN-(2-butoxyethyl)-4-chlorobutan-2-amine
PubChem CID83186904
Molecular FormulaC10H22ClNO
Molecular Weight207.74 g/mol
Exact Mass207.14
IUPAC NameN-(2-butoxyethyl)-4-chlorobutan-2-amine
SMILESCCCCOCCNC(C)CCCl
InChIInChI=1S/C10H22ClNO/c1-3-4-8-13-9-7-12-10(2)5-6-11/h10,12H,3-9H2,1-2H3
InChIKeyJUHUBQWRQXQRCM-UHFFFAOYSA-N
XLogP2.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.74
LogP ≤ 52.41
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

N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-5-chloropentan-2-amine
CID 104567239
4-chloro-N-[2-(3-methoxypropoxy)ethyl]butan-2-amine
CID 103184040
4-bromo-N-(2-butoxyethyl)butan-2-amine
CID 83186631
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1-chloro-4-methylpentan-3-amine
CID 106353840
N-(2-octoxyethyl)pentan-2-amine
CID 55196861
N-(2-undecoxyethyl)pentan-2-amine
CID 22091507
2-(2-butoxyethylamino)propan-1-ol
CID 61483425
N-[2-(3-methoxypropoxy)ethyl]hexan-2-amine
CID 103178889
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1-ethoxypropan-2-amine
CID 104562069
2-[2-[[(2S)-octan-2-yl]amino]ethoxy]ethanol
CID 29007498
N-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-2-amine
CID 62199109
N-[2-(2-butoxyethoxy)ethyl]-3-methylbutan-2-amine
CID 62598326

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-4-chlorobutan-2-amine?
The IUPAC name of N-(2-butoxyethyl)-4-chlorobutan-2-amine (CID 83186904) is N-(2-butoxyethyl)-4-chlorobutan-2-amine.
What is the SMILES notation for N-(2-butoxyethyl)-4-chlorobutan-2-amine?
The canonical SMILES for N-(2-butoxyethyl)-4-chlorobutan-2-amine is CCCCOCCNC(C)CCCl.
What is the InChIKey of N-(2-butoxyethyl)-4-chlorobutan-2-amine?
The InChIKey is JUHUBQWRQXQRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22ClNO/c1-3-4-8-13-9-7-12-10(2)5-6-11/h10,12H,3-9H2,1-2H3.
What are the key properties of N-(2-butoxyethyl)-4-chlorobutan-2-amine?
N-(2-butoxyethyl)-4-chlorobutan-2-amine has a molecular weight of 207.74 g/mol, XLogP of 2.41, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-4-chlorobutan-2-amine is sourced from PubChem (CID 83186904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).