2,2-dimethyl-1-(2-propan-2-yloxyphenyl)-N-propylbutan-1-amine

C18H31NO — CID 105018405

IUPAC2,2-dimethyl-1-(2-propan-2-yloxyphenyl)-N-propylbutan-1-amine
SMILESCCCNC(c1ccccc1OC(C)C)C(C)(C)CC
InChIInChI=1S/C18H31NO/c1-7-13-19-17(18(5,6)8-2)15-11-9-10-12-16(15)20-14(3)4/h9-12,14,17,19H,7-8,13H2,1-6H3
InChIKeyZARXDLJRQMRDPC-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.95
Rot. Bonds8

About 2,2-dimethyl-1-(2-propan-2-yloxyphenyl)-N-propylbutan-1-amine

2,2-dimethyl-1-(2-propan-2-yloxyphenyl)-N-propylbutan-1-amine (PubChem CID 105018405) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 2,2-dimethyl-1-(2-propan-2-yloxyphenyl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-1-(2-propan-2-yloxyphenyl)-N-propylbutan-1-amine
PubChem CID105018405
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name2,2-dimethyl-1-(2-propan-2-yloxyphenyl)-N-propylbutan-1-amine
SMILESCCCNC(c1ccccc1OC(C)C)C(C)(C)CC
InChIInChI=1S/C18H31NO/c1-7-13-19-17(18(5,6)8-2)15-11-9-10-12-16(15)20-14(3)4/h9-12,14,17,19H,7-8,13H2,1-6H3
InChIKeyZARXDLJRQMRDPC-UHFFFAOYSA-N
XLogP4.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-1-(2-ethoxyphenyl)-2-methyl-N-propylpropan-1-amine
CID 116727056
1-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 62679941
2,2-dimethyl-N-propyl-1-[2-(trifluoromethoxy)phenyl]propan-1-amine
CID 63413587
1-(2,4-dimethoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 62679747
2-ethoxy-1-(2-propan-2-yloxyphenyl)-N-propylbutan-1-amine
CID 116717283
[2-ethyl-2-methoxy-1-(2-propan-2-yloxyphenyl)butyl]hydrazine
CID 105275460
N-[2-methylsulfonyl-1-(2-propan-2-yloxyphenyl)ethyl]propan-1-amine
CID 105018126
4-methoxy-1-(2-propan-2-yloxyphenyl)-N-propylpentan-1-amine
CID 105170923
N-[(5-methyloxolan-3-yl)-(2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 105018423
N-[(3-chlorothiophen-2-yl)-(2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 105018339
1-(4-methoxy-2-methylphenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 63503187
2,2-dimethyl-1-naphthalen-2-yl-N-propylbutan-1-amine
CID 115851112

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(2-propan-2-yloxyphenyl)-N-propylbutan-1-amine?
The IUPAC name of 2,2-dimethyl-1-(2-propan-2-yloxyphenyl)-N-propylbutan-1-amine (CID 105018405) is 2,2-dimethyl-1-(2-propan-2-yloxyphenyl)-N-propylbutan-1-amine.
What is the SMILES notation for 2,2-dimethyl-1-(2-propan-2-yloxyphenyl)-N-propylbutan-1-amine?
The canonical SMILES for 2,2-dimethyl-1-(2-propan-2-yloxyphenyl)-N-propylbutan-1-amine is CCCNC(c1ccccc1OC(C)C)C(C)(C)CC.
What is the InChIKey of 2,2-dimethyl-1-(2-propan-2-yloxyphenyl)-N-propylbutan-1-amine?
The InChIKey is ZARXDLJRQMRDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-7-13-19-17(18(5,6)8-2)15-11-9-10-12-16(15)20-14(3)4/h9-12,14,17,19H,7-8,13H2,1-6H3.
What are the key properties of 2,2-dimethyl-1-(2-propan-2-yloxyphenyl)-N-propylbutan-1-amine?
2,2-dimethyl-1-(2-propan-2-yloxyphenyl)-N-propylbutan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(2-propan-2-yloxyphenyl)-N-propylbutan-1-amine is sourced from PubChem (CID 105018405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).