N-ethyl-1-(3-methylphenyl)-4-propan-2-yloxybutan-2-amine

C16H27NO — CID 115003052

IUPACN-ethyl-1-(3-methylphenyl)-4-propan-2-yloxybutan-2-amine
SMILESCCNC(CCOC(C)C)Cc1cccc(C)c1
InChIInChI=1S/C16H27NO/c1-5-17-16(9-10-18-13(2)3)12-15-8-6-7-14(4)11-15/h6-8,11,13,16-17H,5,9-10,12H2,1-4H3
InChIKeyJIQNDZFUCWFDPT-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.33
Rot. Bonds8

About N-ethyl-1-(3-methylphenyl)-4-propan-2-yloxybutan-2-amine

N-ethyl-1-(3-methylphenyl)-4-propan-2-yloxybutan-2-amine (PubChem CID 115003052) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-ethyl-1-(3-methylphenyl)-4-propan-2-yloxybutan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-methylphenyl)-4-propan-2-yloxybutan-2-amine
PubChem CID115003052
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-ethyl-1-(3-methylphenyl)-4-propan-2-yloxybutan-2-amine
SMILESCCNC(CCOC(C)C)Cc1cccc(C)c1
InChIInChI=1S/C16H27NO/c1-5-17-16(9-10-18-13(2)3)12-15-8-6-7-14(4)11-15/h6-8,11,13,16-17H,5,9-10,12H2,1-4H3
InChIKeyJIQNDZFUCWFDPT-UHFFFAOYSA-N
XLogP3.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(3-methylphenyl)-4-methylsulfanylbutan-2-amine
CID 105091227
N-ethyl-5-methoxy-4-methyl-1-(3-methylphenyl)pentan-2-amine
CID 105091118
1-(3-chlorophenyl)-N-ethyl-3-(3-methylphenyl)propan-2-amine
CID 60819352
N-ethyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-2-amine
CID 63528646
N-ethyl-1-(3-methylphenyl)-5-(oxolan-2-yl)pentan-2-amine
CID 65164597
N-ethyl-1-(furan-2-yl)-3-(3-methylphenyl)propan-2-amine
CID 83175711
3-ethoxy-N-ethyl-1-(3-methylphenyl)hexan-2-amine
CID 116718126
1-methyl-3-(propan-2-yloxymethyl)benzene
CID 10464662
2-(ethylamino)-3-[(3-methylphenyl)methylsulfanyl]propan-1-ol
CID 64808400
1-(5-bromo-3-pyridinyl)-N-ethyl-4-(3-methylphenyl)butan-2-amine
CID 105181327
1-(5-chlorothiophen-2-yl)-N-ethyl-3-(3-methylphenyl)propan-2-amine
CID 62604502
N-methyl-1-(4-methylphenyl)-4-propan-2-yloxybutan-2-amine
CID 55093955

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methylphenyl)-4-propan-2-yloxybutan-2-amine?
The IUPAC name of N-ethyl-1-(3-methylphenyl)-4-propan-2-yloxybutan-2-amine (CID 115003052) is N-ethyl-1-(3-methylphenyl)-4-propan-2-yloxybutan-2-amine.
What is the SMILES notation for N-ethyl-1-(3-methylphenyl)-4-propan-2-yloxybutan-2-amine?
The canonical SMILES for N-ethyl-1-(3-methylphenyl)-4-propan-2-yloxybutan-2-amine is CCNC(CCOC(C)C)Cc1cccc(C)c1.
What is the InChIKey of N-ethyl-1-(3-methylphenyl)-4-propan-2-yloxybutan-2-amine?
The InChIKey is JIQNDZFUCWFDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-17-16(9-10-18-13(2)3)12-15-8-6-7-14(4)11-15/h6-8,11,13,16-17H,5,9-10,12H2,1-4H3.
What are the key properties of N-ethyl-1-(3-methylphenyl)-4-propan-2-yloxybutan-2-amine?
N-ethyl-1-(3-methylphenyl)-4-propan-2-yloxybutan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methylphenyl)-4-propan-2-yloxybutan-2-amine is sourced from PubChem (CID 115003052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).