2-[butyl-[3-(4-methylphenyl)propyl]amino]ethanol

C16H27NO — CID 138716721

IUPAC2-[butyl-[3-(4-methylphenyl)propyl]amino]ethanol
SMILESCCCCN(CCO)CCCc1ccc(C)cc1
InChIInChI=1S/C16H27NO/c1-3-4-11-17(13-14-18)12-5-6-16-9-7-15(2)8-10-16/h7-10,18H,3-6,11-14H2,1-2H3
InChIKeyLVNWSSPISZJYFE-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.02
Rot. Bonds9

About 2-[butyl-[3-(4-methylphenyl)propyl]amino]ethanol

2-[butyl-[3-(4-methylphenyl)propyl]amino]ethanol (PubChem CID 138716721) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-[butyl-[3-(4-methylphenyl)propyl]amino]ethanol.

Molecular Properties

Compound Name2-[butyl-[3-(4-methylphenyl)propyl]amino]ethanol
PubChem CID138716721
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-[butyl-[3-(4-methylphenyl)propyl]amino]ethanol
SMILESCCCCN(CCO)CCCc1ccc(C)cc1
InChIInChI=1S/C16H27NO/c1-3-4-11-17(13-14-18)12-5-6-16-9-7-15(2)8-10-16/h7-10,18H,3-6,11-14H2,1-2H3
InChIKeyLVNWSSPISZJYFE-UHFFFAOYSA-N
XLogP3.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-4-methylbenzene;N,N-dipropylbutan-1-amine;ethane
CID 156867707
2-[butyl(2-hydroxyethyl)amino]ethanol
CID 23103220
N-butyl-N-[3-(4-chlorophenyl)propyl]butan-1-amine
CID 151532022
2-[3-(4-chlorophenyl)propyl-(2-hydroxyethyl)amino]ethanol
CID 111487786
2-[butyl(2-hydroxyethyl)amino]ethanol;titanium
CID 174575595
6-[4-(N-[4-(6-hydroxyhexyl)phenyl]-4-methylanilino)phenyl]hexan-1-ol
CID 20580260
1-methyl-4-octylbenzene
CID 11052746
4-butyl-N-(4-butylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline
CID 58789445
4-N-(4-butylphenyl)-1-N,1-N-bis(4-methylphenyl)-4-N-(4-propylphenyl)benzene-1,4-diamine
CID 163431487
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis(4-octylphenyl)benzene-1,4-diamine
CID 58273977
4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]butan-1-ol
CID 67358855
1-butyl-4-methylbenzene;N-methylmethanamine
CID 143818952

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[3-(4-methylphenyl)propyl]amino]ethanol?
The IUPAC name of 2-[butyl-[3-(4-methylphenyl)propyl]amino]ethanol (CID 138716721) is 2-[butyl-[3-(4-methylphenyl)propyl]amino]ethanol.
What is the SMILES notation for 2-[butyl-[3-(4-methylphenyl)propyl]amino]ethanol?
The canonical SMILES for 2-[butyl-[3-(4-methylphenyl)propyl]amino]ethanol is CCCCN(CCO)CCCc1ccc(C)cc1.
What is the InChIKey of 2-[butyl-[3-(4-methylphenyl)propyl]amino]ethanol?
The InChIKey is LVNWSSPISZJYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-3-4-11-17(13-14-18)12-5-6-16-9-7-15(2)8-10-16/h7-10,18H,3-6,11-14H2,1-2H3.
What are the key properties of 2-[butyl-[3-(4-methylphenyl)propyl]amino]ethanol?
2-[butyl-[3-(4-methylphenyl)propyl]amino]ethanol has a molecular weight of 249.40 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[3-(4-methylphenyl)propyl]amino]ethanol is sourced from PubChem (CID 138716721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).