N-[(2-butyl-4-methylphenyl)methyl]ethanamine

C14H23N — CID 106659184

IUPACN-[(2-butyl-4-methylphenyl)methyl]ethanamine
SMILESCCCCc1cc(C)ccc1CNCC
InChIInChI=1S/C14H23N/c1-4-6-7-13-10-12(3)8-9-14(13)11-15-5-2/h8-10,15H,4-7,11H2,1-3H3
InChIKeyPEEQOFSQRDOBMA-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.45
Rot. Bonds6

About N-[(2-butyl-4-methylphenyl)methyl]ethanamine

N-[(2-butyl-4-methylphenyl)methyl]ethanamine (PubChem CID 106659184) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is N-[(2-butyl-4-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-butyl-4-methylphenyl)methyl]ethanamine
PubChem CID106659184
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC NameN-[(2-butyl-4-methylphenyl)methyl]ethanamine
SMILESCCCCc1cc(C)ccc1CNCC
InChIInChI=1S/C14H23N/c1-4-6-7-13-10-12(3)8-9-14(13)11-15-5-2/h8-10,15H,4-7,11H2,1-3H3
InChIKeyPEEQOFSQRDOBMA-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 61033867
N-[(2-fluoro-4-methylphenyl)methyl]ethanamine
CID 61033995
2-butyl-5-methylbenzenethiol
CID 126697745
N-[[2-(2-butoxyethoxy)-5-methylphenyl]methyl]ethanamine
CID 63323068
N-[(2-butyl-4-chlorophenyl)methyl]propan-1-amine
CID 106659194
2-ethyl-1-hexyl-4-methylbenzene
CID 155704456
2-butyl-1,4-dimethylbenzene;ethane;ethene
CID 177226937
N-[(2-ethylsulfanyl-5-methylphenyl)methyl]ethanamine
CID 82553373
2-[(4-butylanilino)methyl]-4-methylphenol
CID 63326661
N-[[2-(2-ethylhexoxy)-5-methylphenyl]methyl]ethanamine
CID 63485344
2-(2-butyl-4-methylanilino)acetic acid
CID 54469152
3-(2-ethyl-5-methylphenyl)propan-1-amine
CID 117277653

Frequently Asked Questions

What is the IUPAC name of N-[(2-butyl-4-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-butyl-4-methylphenyl)methyl]ethanamine (CID 106659184) is N-[(2-butyl-4-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-butyl-4-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-butyl-4-methylphenyl)methyl]ethanamine is CCCCc1cc(C)ccc1CNCC.
What is the InChIKey of N-[(2-butyl-4-methylphenyl)methyl]ethanamine?
The InChIKey is PEEQOFSQRDOBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-4-6-7-13-10-12(3)8-9-14(13)11-15-5-2/h8-10,15H,4-7,11H2,1-3H3.
What are the key properties of N-[(2-butyl-4-methylphenyl)methyl]ethanamine?
N-[(2-butyl-4-methylphenyl)methyl]ethanamine has a molecular weight of 205.34 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butyl-4-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 106659184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).