1-chloro-2-methyl-N-[2-(3-methylbutoxy)ethyl]propan-2-amine

C11H24ClNO — CID 65026289

IUPAC1-chloro-2-methyl-N-[2-(3-methylbutoxy)ethyl]propan-2-amine
SMILESCC(C)CCOCCNC(C)(C)CCl
InChIInChI=1S/C11H24ClNO/c1-10(2)5-7-14-8-6-13-11(3,4)9-12/h10,13H,5-9H2,1-4H3
InChIKeyKOASZMFEFAZFDY-UHFFFAOYSA-N
MW221.77 g/mol
LogP2.66
Rot. Bonds8

About 1-chloro-2-methyl-N-[2-(3-methylbutoxy)ethyl]propan-2-amine

1-chloro-2-methyl-N-[2-(3-methylbutoxy)ethyl]propan-2-amine (PubChem CID 65026289) has the molecular formula C11H24ClNO and a molecular weight of 221.77 g/mol. Its IUPAC name is 1-chloro-2-methyl-N-[2-(3-methylbutoxy)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-chloro-2-methyl-N-[2-(3-methylbutoxy)ethyl]propan-2-amine
PubChem CID65026289
Molecular FormulaC11H24ClNO
Molecular Weight221.77 g/mol
Exact Mass221.15
IUPAC Name1-chloro-2-methyl-N-[2-(3-methylbutoxy)ethyl]propan-2-amine
SMILESCC(C)CCOCCNC(C)(C)CCl
InChIInChI=1S/C11H24ClNO/c1-10(2)5-7-14-8-6-13-11(3,4)9-12/h10,13H,5-9H2,1-4H3
InChIKeyKOASZMFEFAZFDY-UHFFFAOYSA-N
XLogP2.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.77
LogP ≤ 52.66
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-(3-methylbutoxy)ethoxy]ethoxy]ethyl]propan-2-amine
CID 135302587
1-chloro-3-methyl-N-[2-(3-methylbutoxy)ethyl]pentan-3-amine
CID 106167328
1-chloro-2,2-dimethyl-4-(3-methylbutoxy)butane
CID 66060403
3-(chloromethyl)-3,4-dimethyl-1-(3-methylbutoxy)pentane
CID 83152572
gallane;3-methyl-1-(3-methylbutoxy)butane
CID 174967258
3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 118631027
5-chloro-N-[2-(3-methylbutoxy)ethyl]pentan-1-amine
CID 107319913
3-methyl-1-(3-methylbutoxy)butane;molecular iodine
CID 131712143
(E)-4-chloro-N-[2-(3-methylbutoxy)ethyl]but-2-en-1-amine
CID 81429272
N-ethyl-2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 155459726
N-ethyl-2-[2-(3-methylbutoxy)ethoxy]ethanamine
CID 62336857
N-[2-(3-methylbutoxy)ethyl]pentan-1-amine
CID 61483947

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methyl-N-[2-(3-methylbutoxy)ethyl]propan-2-amine?
The IUPAC name of 1-chloro-2-methyl-N-[2-(3-methylbutoxy)ethyl]propan-2-amine (CID 65026289) is 1-chloro-2-methyl-N-[2-(3-methylbutoxy)ethyl]propan-2-amine.
What is the SMILES notation for 1-chloro-2-methyl-N-[2-(3-methylbutoxy)ethyl]propan-2-amine?
The canonical SMILES for 1-chloro-2-methyl-N-[2-(3-methylbutoxy)ethyl]propan-2-amine is CC(C)CCOCCNC(C)(C)CCl.
What is the InChIKey of 1-chloro-2-methyl-N-[2-(3-methylbutoxy)ethyl]propan-2-amine?
The InChIKey is KOASZMFEFAZFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24ClNO/c1-10(2)5-7-14-8-6-13-11(3,4)9-12/h10,13H,5-9H2,1-4H3.
What are the key properties of 1-chloro-2-methyl-N-[2-(3-methylbutoxy)ethyl]propan-2-amine?
1-chloro-2-methyl-N-[2-(3-methylbutoxy)ethyl]propan-2-amine has a molecular weight of 221.77 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methyl-N-[2-(3-methylbutoxy)ethyl]propan-2-amine is sourced from PubChem (CID 65026289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).