N-(2-chloroethyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propan-2-amine

C11H24ClNO — CID 112591752

IUPACN-(2-chloroethyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propan-2-amine
SMILESCC(C)N(CCCl)CCOC(C)(C)C
InChIInChI=1S/C11H24ClNO/c1-10(2)13(7-6-12)8-9-14-11(3,4)5/h10H,6-9H2,1-5H3
InChIKeyCWBAFDAJXPWUPH-UHFFFAOYSA-N
MW221.77 g/mol
LogP2.75
Rot. Bonds6

About N-(2-chloroethyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propan-2-amine

N-(2-chloroethyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propan-2-amine (PubChem CID 112591752) has the molecular formula C11H24ClNO and a molecular weight of 221.77 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propan-2-amine
PubChem CID112591752
Molecular FormulaC11H24ClNO
Molecular Weight221.77 g/mol
Exact Mass221.15
IUPAC NameN-(2-chloroethyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propan-2-amine
SMILESCC(C)N(CCCl)CCOC(C)(C)C
InChIInChI=1S/C11H24ClNO/c1-10(2)13(7-6-12)8-9-14-11(3,4)5/h10H,6-9H2,1-5H3
InChIKeyCWBAFDAJXPWUPH-UHFFFAOYSA-N
XLogP2.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.77
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(2-methylpropan-2-yl)oxy]ethyl-propan-2-ylamino]acetic acid
CID 112590569
N-(2-chloroethyl)-N-ethylpropan-2-amine
CID 13327740
ethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethyl-propan-2-ylamino]acetate
CID 112687535
3-chloro-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine
CID 63389217
N-(2-chloroethyl)-3-(2-methoxyethoxy)-N-propan-2-ylpropan-1-amine
CID 103413010
5-chloro-N-(2-methoxyethyl)-N-propan-2-ylpentan-1-amine
CID 82960772
N-tert-butyl-2-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propan-2-amine
CID 122631646
5-chloro-1-N-(2-chloroethyl)-4-N,4-N-diethyl-1-N-propan-2-ylpentane-1,4-diamine
CID 57237258
N,N-bis(2-chloroethyl)-1-methoxyethanamine
CID 87908945
N',2-dimethyl-N'-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-1,3-diamine
CID 112588432
(E)-N-(2-chloroethyl)-N-propan-2-ylbut-2-en-1-amine
CID 107897671
N-(2-chloroethyl)-N-prop-2-enylpropan-2-amine;hydrochloride
CID 57349420

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propan-2-amine?
The IUPAC name of N-(2-chloroethyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propan-2-amine (CID 112591752) is N-(2-chloroethyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propan-2-amine.
What is the SMILES notation for N-(2-chloroethyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propan-2-amine?
The canonical SMILES for N-(2-chloroethyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propan-2-amine is CC(C)N(CCCl)CCOC(C)(C)C.
What is the InChIKey of N-(2-chloroethyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propan-2-amine?
The InChIKey is CWBAFDAJXPWUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24ClNO/c1-10(2)13(7-6-12)8-9-14-11(3,4)5/h10H,6-9H2,1-5H3.
What are the key properties of N-(2-chloroethyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propan-2-amine?
N-(2-chloroethyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propan-2-amine has a molecular weight of 221.77 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propan-2-amine is sourced from PubChem (CID 112591752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).