2-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-2-amine

C17H29NO — CID 43105137

IUPAC2-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-2-amine
SMILESCCC(C)(C)NC(C)c1ccc(OCC(C)C)cc1
InChIInChI=1S/C17H29NO/c1-7-17(5,6)18-14(4)15-8-10-16(11-9-15)19-12-13(2)3/h8-11,13-14,18H,7,12H2,1-6H3
InChIKeyKEZISJMYUCELTA-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.56
Rot. Bonds7

About 2-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-2-amine

2-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-2-amine (PubChem CID 43105137) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-2-amine
PubChem CID43105137
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name2-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-2-amine
SMILESCCC(C)(C)NC(C)c1ccc(OCC(C)C)cc1
InChIInChI=1S/C17H29NO/c1-7-17(5,6)18-14(4)15-8-10-16(11-9-15)19-12-13(2)3/h8-11,13-14,18H,7,12H2,1-6H3
InChIKeyKEZISJMYUCELTA-UHFFFAOYSA-N
XLogP4.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-1-amine
CID 103460601
2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butan-2-amine
CID 45253324
3-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentan-2-amine
CID 63456175
N-[1-(4-butylphenyl)ethyl]-2-methylbutan-2-amine
CID 45282077
2,3-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-1-amine
CID 64570267
(2S)-2-amino-3,3-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butanamide
CID 119815221
1-(2-methylpropoxy)-4-[(1R)-1-(sulfamoylamino)ethyl]benzene
CID 97082572
1-amino-4,4-dimethyl-2-[4-(2-methylpropoxy)phenyl]hexan-3-ol
CID 65189512
1-[4-(2-methylpropoxy)phenyl]-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine
CID 103905160
N-(cyclopentylmethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine
CID 43370779
N,N'-bis[4-(2-methylpropoxy)phenyl]ethane-1,2-diamine
CID 54808031
N-(2-cyclopentylethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine
CID 63450652

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-2-amine?
The IUPAC name of 2-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-2-amine (CID 43105137) is 2-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-2-amine.
What is the SMILES notation for 2-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-2-amine?
The canonical SMILES for 2-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-2-amine is CCC(C)(C)NC(C)c1ccc(OCC(C)C)cc1.
What is the InChIKey of 2-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-2-amine?
The InChIKey is KEZISJMYUCELTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-7-17(5,6)18-14(4)15-8-10-16(11-9-15)19-12-13(2)3/h8-11,13-14,18H,7,12H2,1-6H3.
What are the key properties of 2-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-2-amine?
2-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-2-amine has a molecular weight of 263.43 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-2-amine is sourced from PubChem (CID 43105137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).