N-tert-butyl-3-(5-chloro-2-methylphenoxy)-2,2-dimethylpropan-1-amine

C16H26ClNO — CID 79628140

IUPACN-tert-butyl-3-(5-chloro-2-methylphenoxy)-2,2-dimethylpropan-1-amine
SMILESCc1ccc(Cl)cc1OCC(C)(C)CNC(C)(C)C
InChIInChI=1S/C16H26ClNO/c1-12-7-8-13(17)9-14(12)19-11-16(5,6)10-18-15(2,3)4/h7-9,18H,10-11H2,1-6H3
InChIKeyVCKAQFIYRUGOGH-UHFFFAOYSA-N
MW283.84 g/mol
LogP4.44
Rot. Bonds5

About N-tert-butyl-3-(5-chloro-2-methylphenoxy)-2,2-dimethylpropan-1-amine

N-tert-butyl-3-(5-chloro-2-methylphenoxy)-2,2-dimethylpropan-1-amine (PubChem CID 79628140) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is N-tert-butyl-3-(5-chloro-2-methylphenoxy)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-(5-chloro-2-methylphenoxy)-2,2-dimethylpropan-1-amine
PubChem CID79628140
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC NameN-tert-butyl-3-(5-chloro-2-methylphenoxy)-2,2-dimethylpropan-1-amine
SMILESCc1ccc(Cl)cc1OCC(C)(C)CNC(C)(C)C
InChIInChI=1S/C16H26ClNO/c1-12-7-8-13(17)9-14(12)19-11-16(5,6)10-18-15(2,3)4/h7-9,18H,10-11H2,1-6H3
InChIKeyVCKAQFIYRUGOGH-UHFFFAOYSA-N
XLogP4.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-3-(3-chloro-2-fluorophenoxy)-2,2-dimethylpropan-1-amine
CID 116690237
3-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylpropan-1-amine
CID 79627041
N-[[5-(5-chloro-2-methylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 80620776
2-(5-chloro-2-methylphenoxy)acetamide
CID 65439903
4-chloro-2-(2,3-dichloroprop-2-enoxy)-1-methylbenzene
CID 79173911
N-tert-butyl-3-(3-ethoxyphenoxy)-2,2-dimethylpropan-1-amine
CID 79621302
1,4-dichloro-2-(2,2-dimethylpropoxy)benzene
CID 66988103
1-(5-chloro-2-methylphenoxy)propan-2-ol
CID 21423645
N-[[4-chloro-2-(4-chlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 114855553
4-chloro-2-methoxy-1-methylbenzene;ethane
CID 143462337
(2R)-1-(tert-butylamino)-3-(4-chloro-2-methylphenoxy)propan-2-ol
CID 959161
N-[[2-(4-chloro-2-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63553311

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(5-chloro-2-methylphenoxy)-2,2-dimethylpropan-1-amine?
The IUPAC name of N-tert-butyl-3-(5-chloro-2-methylphenoxy)-2,2-dimethylpropan-1-amine (CID 79628140) is N-tert-butyl-3-(5-chloro-2-methylphenoxy)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-tert-butyl-3-(5-chloro-2-methylphenoxy)-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-tert-butyl-3-(5-chloro-2-methylphenoxy)-2,2-dimethylpropan-1-amine is Cc1ccc(Cl)cc1OCC(C)(C)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-(5-chloro-2-methylphenoxy)-2,2-dimethylpropan-1-amine?
The InChIKey is VCKAQFIYRUGOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO/c1-12-7-8-13(17)9-14(12)19-11-16(5,6)10-18-15(2,3)4/h7-9,18H,10-11H2,1-6H3.
What are the key properties of N-tert-butyl-3-(5-chloro-2-methylphenoxy)-2,2-dimethylpropan-1-amine?
N-tert-butyl-3-(5-chloro-2-methylphenoxy)-2,2-dimethylpropan-1-amine has a molecular weight of 283.84 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(5-chloro-2-methylphenoxy)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 79628140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).