3-(2-ethyl-5-methylphenyl)-N,N-di(propan-2-yl)butan-1-amine

C19H33N — CID 143259927

IUPAC3-(2-ethyl-5-methylphenyl)-N,N-di(propan-2-yl)butan-1-amine
SMILESCCc1ccc(C)cc1C(C)CCN(C(C)C)C(C)C
InChIInChI=1S/C19H33N/c1-8-18-10-9-16(6)13-19(18)17(7)11-12-20(14(2)3)15(4)5/h9-10,13-15,17H,8,11-12H2,1-7H3
InChIKeyKCHOINJMNOUEEX-UHFFFAOYSA-N
MW275.48 g/mol
LogP5.17
Rot. Bonds7

About 3-(2-ethyl-5-methylphenyl)-N,N-di(propan-2-yl)butan-1-amine

3-(2-ethyl-5-methylphenyl)-N,N-di(propan-2-yl)butan-1-amine (PubChem CID 143259927) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is 3-(2-ethyl-5-methylphenyl)-N,N-di(propan-2-yl)butan-1-amine.

Molecular Properties

Compound Name3-(2-ethyl-5-methylphenyl)-N,N-di(propan-2-yl)butan-1-amine
PubChem CID143259927
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name3-(2-ethyl-5-methylphenyl)-N,N-di(propan-2-yl)butan-1-amine
SMILESCCc1ccc(C)cc1C(C)CCN(C(C)C)C(C)C
InChIInChI=1S/C19H33N/c1-8-18-10-9-16(6)13-19(18)17(7)11-12-20(14(2)3)15(4)5/h9-10,13-15,17H,8,11-12H2,1-7H3
InChIKeyKCHOINJMNOUEEX-UHFFFAOYSA-N
XLogP5.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-methoxy-5-methylphenyl)-N,N-di(propan-2-yl)butan-1-amine
CID 143259929
2-(2-ethyl-5-methylphenyl)propan-1-amine
CID 117277659
(1S)-1-(2-ethyl-5-methylphenyl)butan-1-amine
CID 55296637
(3R)-3-(2,5-dimethylphenyl)-3-phenyl-N,N-di(propan-2-yl)propan-1-amine
CID 70989552
2-amino-2-(2-ethyl-5-methylphenyl)ethanol
CID 55283638
2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol;2-[(1R)-3-[[(3R)-3-(2-hydroxy-5-methylphenyl)-3-phenylpropyl]-propan-2-ylamino]-1-phenylpropyl]-4-methylphenol
CID 11468528
1,2-diethyl-4-methylbenzene;methane
CID 174446118
(3R)-3-(2-methoxy-5-methylphenyl)-3-phenyl-N,N-di(propan-2-yl)propan-1-amine;hydrobromide
CID 67440218
(3R)-2,3-dihydroxybutanedioic acid;2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol
CID 91809622
[2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenyl] butanoate;hydrochloride
CID 69133569
1-(2-ethyl-5-methylphenyl)propan-2-ol
CID 117277868
(E)-but-2-enedioic acid;3-(2-methoxy-5-methylphenyl)-3-phenyl-N,N-di(propan-2-yl)propan-1-amine
CID 45357480

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-5-methylphenyl)-N,N-di(propan-2-yl)butan-1-amine?
The IUPAC name of 3-(2-ethyl-5-methylphenyl)-N,N-di(propan-2-yl)butan-1-amine (CID 143259927) is 3-(2-ethyl-5-methylphenyl)-N,N-di(propan-2-yl)butan-1-amine.
What is the SMILES notation for 3-(2-ethyl-5-methylphenyl)-N,N-di(propan-2-yl)butan-1-amine?
The canonical SMILES for 3-(2-ethyl-5-methylphenyl)-N,N-di(propan-2-yl)butan-1-amine is CCc1ccc(C)cc1C(C)CCN(C(C)C)C(C)C.
What is the InChIKey of 3-(2-ethyl-5-methylphenyl)-N,N-di(propan-2-yl)butan-1-amine?
The InChIKey is KCHOINJMNOUEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-8-18-10-9-16(6)13-19(18)17(7)11-12-20(14(2)3)15(4)5/h9-10,13-15,17H,8,11-12H2,1-7H3.
What are the key properties of 3-(2-ethyl-5-methylphenyl)-N,N-di(propan-2-yl)butan-1-amine?
3-(2-ethyl-5-methylphenyl)-N,N-di(propan-2-yl)butan-1-amine has a molecular weight of 275.48 g/mol, XLogP of 5.17, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-5-methylphenyl)-N,N-di(propan-2-yl)butan-1-amine is sourced from PubChem (CID 143259927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).