N-[2-butan-2-yloxy-2-(3-chlorophenyl)ethyl]-2-methylpropan-2-amine

C16H26ClNO — CID 62108579

IUPACN-[2-butan-2-yloxy-2-(3-chlorophenyl)ethyl]-2-methylpropan-2-amine
SMILESCCC(C)OC(CNC(C)(C)C)c1cccc(Cl)c1
InChIInChI=1S/C16H26ClNO/c1-6-12(2)19-15(11-18-16(3,4)5)13-8-7-9-14(17)10-13/h7-10,12,15,18H,6,11H2,1-5H3
InChIKeyDYRJRYSMYLURJT-UHFFFAOYSA-N
MW283.84 g/mol
LogP4.58
Rot. Bonds6

About N-[2-butan-2-yloxy-2-(3-chlorophenyl)ethyl]-2-methylpropan-2-amine

N-[2-butan-2-yloxy-2-(3-chlorophenyl)ethyl]-2-methylpropan-2-amine (PubChem CID 62108579) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is N-[2-butan-2-yloxy-2-(3-chlorophenyl)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-butan-2-yloxy-2-(3-chlorophenyl)ethyl]-2-methylpropan-2-amine
PubChem CID62108579
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC NameN-[2-butan-2-yloxy-2-(3-chlorophenyl)ethyl]-2-methylpropan-2-amine
SMILESCCC(C)OC(CNC(C)(C)C)c1cccc(Cl)c1
InChIInChI=1S/C16H26ClNO/c1-6-12(2)19-15(11-18-16(3,4)5)13-8-7-9-14(17)10-13/h7-10,12,15,18H,6,11H2,1-5H3
InChIKeyDYRJRYSMYLURJT-UHFFFAOYSA-N
XLogP4.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-chlorophenyl)-2-(4-methylpentan-2-yloxy)ethyl]-2-methylpropan-2-amine
CID 63476220
N-[2-butan-2-yloxy-2-(3-chlorophenyl)ethyl]cyclopropanamine
CID 62108578
N-tert-butyl-2-(3-chlorophenyl)-3-methylhexan-1-amine
CID 107886919
N-[2-(4-chlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethyl]-2-methylpropan-2-amine
CID 103490153
N-[2-(3-chlorophenyl)-2-propan-2-yloxyethyl]propan-1-amine
CID 55036653
N-tert-butyl-2-(3-chlorophenyl)-4-methylheptan-1-amine
CID 79443032
N-tert-butyl-2-(3-chlorophenyl)-6-methylheptan-1-amine
CID 83169178
2-butan-2-yloxy-2-(3-fluorophenyl)-N-methylethanamine
CID 62107675
N-tert-butyl-2-(3-chlorophenoxy)butan-1-amine
CID 62460087
N-tert-butyl-2-(3-chlorophenyl)-5-ethoxypentan-1-amine
CID 79442507
1-(3-chlorophenyl)-N-ethoxyethanamine
CID 78968845
N-[1-(3-chlorophenyl)ethyl]-2-methylpentan-3-amine
CID 43767396

Frequently Asked Questions

What is the IUPAC name of N-[2-butan-2-yloxy-2-(3-chlorophenyl)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-butan-2-yloxy-2-(3-chlorophenyl)ethyl]-2-methylpropan-2-amine (CID 62108579) is N-[2-butan-2-yloxy-2-(3-chlorophenyl)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-butan-2-yloxy-2-(3-chlorophenyl)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-butan-2-yloxy-2-(3-chlorophenyl)ethyl]-2-methylpropan-2-amine is CCC(C)OC(CNC(C)(C)C)c1cccc(Cl)c1.
What is the InChIKey of N-[2-butan-2-yloxy-2-(3-chlorophenyl)ethyl]-2-methylpropan-2-amine?
The InChIKey is DYRJRYSMYLURJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO/c1-6-12(2)19-15(11-18-16(3,4)5)13-8-7-9-14(17)10-13/h7-10,12,15,18H,6,11H2,1-5H3.
What are the key properties of N-[2-butan-2-yloxy-2-(3-chlorophenyl)ethyl]-2-methylpropan-2-amine?
N-[2-butan-2-yloxy-2-(3-chlorophenyl)ethyl]-2-methylpropan-2-amine has a molecular weight of 283.84 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-butan-2-yloxy-2-(3-chlorophenyl)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62108579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).