N-[[4-(3-methylbutoxy)phenyl]methyl]aniline

C18H23NO — CID 29039678

IUPACN-[[4-(3-methylbutoxy)phenyl]methyl]aniline
SMILESCC(C)CCOc1ccc(CNc2ccccc2)cc1
InChIInChI=1S/C18H23NO/c1-15(2)12-13-20-18-10-8-16(9-11-18)14-19-17-6-4-3-5-7-17/h3-11,15,19H,12-14H2,1-2H3
InChIKeyWAYWFBNUHVFKBA-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.72
Rot. Bonds7

About N-[[4-(3-methylbutoxy)phenyl]methyl]aniline

N-[[4-(3-methylbutoxy)phenyl]methyl]aniline (PubChem CID 29039678) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[[4-(3-methylbutoxy)phenyl]methyl]aniline.

Molecular Properties

Compound NameN-[[4-(3-methylbutoxy)phenyl]methyl]aniline
PubChem CID29039678
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[[4-(3-methylbutoxy)phenyl]methyl]aniline
SMILESCC(C)CCOc1ccc(CNc2ccccc2)cc1
InChIInChI=1S/C18H23NO/c1-15(2)12-13-20-18-10-8-16(9-11-18)14-19-17-6-4-3-5-7-17/h3-11,15,19H,12-14H2,1-2H3
InChIKeyWAYWFBNUHVFKBA-UHFFFAOYSA-N
XLogP4.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(3-methylbutoxy)phenyl]methyl]-4-propan-2-yloxyaniline
CID 54799891
4-heptoxy-N-[[4-(3-methylbutoxy)phenyl]methyl]aniline
CID 54799644
N-[(4-hexoxyphenyl)methyl]-4-(3-methylbutoxy)aniline
CID 54799307
N-[(4-fluorophenyl)methyl]-3-(3-methylbutoxy)aniline
CID 54800545
N-[(4-methoxyphenyl)methyl]-4-(2-phenoxyethoxy)aniline
CID 54799583
N-benzyl-2-[4-(3-methylbutoxy)phenoxy]acetamide
CID 4732905
N-[(4-butan-2-yloxyphenyl)methyl]-4-(2-phenoxyethoxy)aniline
CID 46736287
1-(3-methylbutoxy)-4-phenylbenzene
CID 91725732
4-methyl-N-[[4-(2-phenylethoxy)phenyl]methyl]aniline
CID 54797347
3-(3-methylbutoxy)-N-[[2-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54800929
1-ethyl-4-(3-methylbutoxy)benzene
CID 60722998
2-methyl-N-[[4-(3-methylbutoxy)phenyl]methyl]pentan-3-amine
CID 63455307

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-methylbutoxy)phenyl]methyl]aniline?
The IUPAC name of N-[[4-(3-methylbutoxy)phenyl]methyl]aniline (CID 29039678) is N-[[4-(3-methylbutoxy)phenyl]methyl]aniline.
What is the SMILES notation for N-[[4-(3-methylbutoxy)phenyl]methyl]aniline?
The canonical SMILES for N-[[4-(3-methylbutoxy)phenyl]methyl]aniline is CC(C)CCOc1ccc(CNc2ccccc2)cc1.
What is the InChIKey of N-[[4-(3-methylbutoxy)phenyl]methyl]aniline?
The InChIKey is WAYWFBNUHVFKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-15(2)12-13-20-18-10-8-16(9-11-18)14-19-17-6-4-3-5-7-17/h3-11,15,19H,12-14H2,1-2H3.
What are the key properties of N-[[4-(3-methylbutoxy)phenyl]methyl]aniline?
N-[[4-(3-methylbutoxy)phenyl]methyl]aniline has a molecular weight of 269.39 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-methylbutoxy)phenyl]methyl]aniline is sourced from PubChem (CID 29039678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).