N-ethyl-1-(2-methylphenyl)-4-(oxan-2-yl)butan-2-amine

C18H29NO — CID 63950955

IUPACN-ethyl-1-(2-methylphenyl)-4-(oxan-2-yl)butan-2-amine
SMILESCCNC(CCC1CCCCO1)Cc1ccccc1C
InChIInChI=1S/C18H29NO/c1-3-19-17(11-12-18-10-6-7-13-20-18)14-16-9-5-4-8-15(16)2/h4-5,8-9,17-19H,3,6-7,10-14H2,1-2H3
InChIKeyBIFNGQPEAKTILF-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.86
Rot. Bonds7

About N-ethyl-1-(2-methylphenyl)-4-(oxan-2-yl)butan-2-amine

N-ethyl-1-(2-methylphenyl)-4-(oxan-2-yl)butan-2-amine (PubChem CID 63950955) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-ethyl-1-(2-methylphenyl)-4-(oxan-2-yl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-methylphenyl)-4-(oxan-2-yl)butan-2-amine
PubChem CID63950955
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-ethyl-1-(2-methylphenyl)-4-(oxan-2-yl)butan-2-amine
SMILESCCNC(CCC1CCCCO1)Cc1ccccc1C
InChIInChI=1S/C18H29NO/c1-3-19-17(11-12-18-10-6-7-13-20-18)14-16-9-5-4-8-15(16)2/h4-5,8-9,17-19H,3,6-7,10-14H2,1-2H3
InChIKeyBIFNGQPEAKTILF-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(4-fluoro-2-methylphenyl)-4-(oxan-2-yl)butan-2-amine
CID 105050949
1-(2,6-dimethylphenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine
CID 105024443
N-ethyl-1-(4-fluoro-2-methylphenyl)-4-(oxolan-2-yl)butan-2-amine
CID 105050994
1-(2-methylphenyl)-4-(oxan-2-yl)butan-2-amine
CID 63951754
1-(3-chloro-4-pyridinyl)-N-ethyl-4-(oxan-2-yl)butan-2-amine
CID 115984984
1-(2,5-dimethylphenyl)-N-ethyl-5-(oxolan-2-yl)pentan-2-amine
CID 104993079
1-(4-chloro-2-fluorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine
CID 105055271
N-ethyl-1-(oxan-2-yl)-5-thiophen-3-ylpentan-3-amine
CID 115856805
N-ethyl-1-(4-fluorophenyl)-5-(oxolan-2-yl)pentan-2-amine
CID 65167136
1-(3-methylphenyl)-4-(oxan-2-yl)-N-propylbutan-2-amine
CID 63951958
N-ethyl-1-(3-methylphenyl)-5-(oxolan-2-yl)pentan-2-amine
CID 65164597
1-cyclopentylsulfanyl-N-ethyl-3-(2-methylphenyl)propan-2-amine
CID 65140412

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methylphenyl)-4-(oxan-2-yl)butan-2-amine?
The IUPAC name of N-ethyl-1-(2-methylphenyl)-4-(oxan-2-yl)butan-2-amine (CID 63950955) is N-ethyl-1-(2-methylphenyl)-4-(oxan-2-yl)butan-2-amine.
What is the SMILES notation for N-ethyl-1-(2-methylphenyl)-4-(oxan-2-yl)butan-2-amine?
The canonical SMILES for N-ethyl-1-(2-methylphenyl)-4-(oxan-2-yl)butan-2-amine is CCNC(CCC1CCCCO1)Cc1ccccc1C.
What is the InChIKey of N-ethyl-1-(2-methylphenyl)-4-(oxan-2-yl)butan-2-amine?
The InChIKey is BIFNGQPEAKTILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-19-17(11-12-18-10-6-7-13-20-18)14-16-9-5-4-8-15(16)2/h4-5,8-9,17-19H,3,6-7,10-14H2,1-2H3.
What are the key properties of N-ethyl-1-(2-methylphenyl)-4-(oxan-2-yl)butan-2-amine?
N-ethyl-1-(2-methylphenyl)-4-(oxan-2-yl)butan-2-amine has a molecular weight of 275.44 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methylphenyl)-4-(oxan-2-yl)butan-2-amine is sourced from PubChem (CID 63950955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).