2-methyl-N-[2-(3-propan-2-ylphenoxy)propyl]butan-2-amine

C17H29NO — CID 55195324

IUPAC2-methyl-N-[2-(3-propan-2-ylphenoxy)propyl]butan-2-amine
SMILESCCC(C)(C)NCC(C)Oc1cccc(C(C)C)c1
InChIInChI=1S/C17H29NO/c1-7-17(5,6)18-12-14(4)19-16-10-8-9-15(11-16)13(2)3/h8-11,13-14,18H,7,12H2,1-6H3
InChIKeyLWGAJCIOVSPOAT-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.36
Rot. Bonds7

About 2-methyl-N-[2-(3-propan-2-ylphenoxy)propyl]butan-2-amine

2-methyl-N-[2-(3-propan-2-ylphenoxy)propyl]butan-2-amine (PubChem CID 55195324) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 2-methyl-N-[2-(3-propan-2-ylphenoxy)propyl]butan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(3-propan-2-ylphenoxy)propyl]butan-2-amine
PubChem CID55195324
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name2-methyl-N-[2-(3-propan-2-ylphenoxy)propyl]butan-2-amine
SMILESCCC(C)(C)NCC(C)Oc1cccc(C(C)C)c1
InChIInChI=1S/C17H29NO/c1-7-17(5,6)18-12-14(4)19-16-10-8-9-15(11-16)13(2)3/h8-11,13-14,18H,7,12H2,1-6H3
InChIKeyLWGAJCIOVSPOAT-UHFFFAOYSA-N
XLogP4.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-4-(3-propan-2-ylphenoxy)pentan-1-amine
CID 62453840
2-(3-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62572417
2-methyl-4-(3-propan-2-ylphenoxy)-2-(propylamino)pentanenitrile
CID 64727995
2-(3-propan-2-ylphenoxy)propan-1-ol
CID 82075961
2-(3-propan-2-ylphenoxy)-N-prop-2-enylpropan-1-amine
CID 62570863
N-[2-(4-bromo-3,5-dimethylphenoxy)propyl]-2-methylbutan-2-amine
CID 107726655
N-[2-(2-methoxyphenoxy)propyl]-2-methylbutan-2-amine
CID 54852974
1-propan-2-yl-3-(5,8,8-trimethylnonan-2-yloxy)benzene
CID 130223219
N-[2-(2-ethoxyphenoxy)propyl]-2-methylbutan-2-amine
CID 62572112
N-[2-(2-bromophenoxy)propyl]-2-methylbutan-2-amine
CID 62597428
2-methyl-2-(3-propan-2-ylphenoxy)-N-propylbutan-1-amine
CID 63488670
4-(3-propan-2-ylphenoxy)pentan-1-amine
CID 62453134

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(3-propan-2-ylphenoxy)propyl]butan-2-amine?
The IUPAC name of 2-methyl-N-[2-(3-propan-2-ylphenoxy)propyl]butan-2-amine (CID 55195324) is 2-methyl-N-[2-(3-propan-2-ylphenoxy)propyl]butan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-(3-propan-2-ylphenoxy)propyl]butan-2-amine?
The canonical SMILES for 2-methyl-N-[2-(3-propan-2-ylphenoxy)propyl]butan-2-amine is CCC(C)(C)NCC(C)Oc1cccc(C(C)C)c1.
What is the InChIKey of 2-methyl-N-[2-(3-propan-2-ylphenoxy)propyl]butan-2-amine?
The InChIKey is LWGAJCIOVSPOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-7-17(5,6)18-12-14(4)19-16-10-8-9-15(11-16)13(2)3/h8-11,13-14,18H,7,12H2,1-6H3.
What are the key properties of 2-methyl-N-[2-(3-propan-2-ylphenoxy)propyl]butan-2-amine?
2-methyl-N-[2-(3-propan-2-ylphenoxy)propyl]butan-2-amine has a molecular weight of 263.42 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(3-propan-2-ylphenoxy)propyl]butan-2-amine is sourced from PubChem (CID 55195324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).