N-benzyl-4-propan-2-yloxyaniline

C16H19NO — CID 28969524

IUPACN-benzyl-4-propan-2-yloxyaniline
SMILESCC(C)Oc1ccc(NCc2ccccc2)cc1
InChIInChI=1S/C16H19NO/c1-13(2)18-16-10-8-15(9-11-16)17-12-14-6-4-3-5-7-14/h3-11,13,17H,12H2,1-2H3
InChIKeyBYJHDLLYQHQWEL-UHFFFAOYSA-N
MW241.33 g/mol
LogP4.09
Rot. Bonds5

About N-benzyl-4-propan-2-yloxyaniline

N-benzyl-4-propan-2-yloxyaniline (PubChem CID 28969524) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is N-benzyl-4-propan-2-yloxyaniline.

Molecular Properties

Compound NameN-benzyl-4-propan-2-yloxyaniline
PubChem CID28969524
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC NameN-benzyl-4-propan-2-yloxyaniline
SMILESCC(C)Oc1ccc(NCc2ccccc2)cc1
InChIInChI=1S/C16H19NO/c1-13(2)18-16-10-8-15(9-11-16)17-12-14-6-4-3-5-7-14/h3-11,13,17H,12H2,1-2H3
InChIKeyBYJHDLLYQHQWEL-UHFFFAOYSA-N
XLogP4.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]aniline
CID 54796749
N-(2-phenylethyl)-4-propan-2-yloxyaniline
CID 28969676
N-[[4-(2-methylpropoxy)phenyl]methyl]-4-propan-2-yloxyaniline
CID 39455797
N'-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 54806264
N-benzylpropan-2-amine;propan-2-yloxybenzene
CID 169144448
N-phenylmethoxy-1-(4-propan-2-yloxyphenyl)methanamine
CID 82708959
N-[[4-(3-methylbutoxy)phenyl]methyl]-4-propan-2-yloxyaniline
CID 54799891
4-propan-2-yloxy-N-[(3,4,5-trifluorophenyl)methyl]aniline
CID 63052213
N-(3-phenylprop-2-ynyl)-4-propan-2-yloxyaniline
CID 62340189
3-fluoro-N-[(4-propan-2-yloxyphenyl)methyl]aniline
CID 39360354
N-[(4-pentoxyphenyl)methyl]-4-propan-2-yloxyaniline
CID 54799858
N-[(4-butan-2-yloxyphenyl)methyl]-4-(2-phenoxyethoxy)aniline
CID 46736287

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-propan-2-yloxyaniline?
The IUPAC name of N-benzyl-4-propan-2-yloxyaniline (CID 28969524) is N-benzyl-4-propan-2-yloxyaniline.
What is the SMILES notation for N-benzyl-4-propan-2-yloxyaniline?
The canonical SMILES for N-benzyl-4-propan-2-yloxyaniline is CC(C)Oc1ccc(NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-4-propan-2-yloxyaniline?
The InChIKey is BYJHDLLYQHQWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-13(2)18-16-10-8-15(9-11-16)17-12-14-6-4-3-5-7-14/h3-11,13,17H,12H2,1-2H3.
What are the key properties of N-benzyl-4-propan-2-yloxyaniline?
N-benzyl-4-propan-2-yloxyaniline has a molecular weight of 241.33 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-propan-2-yloxyaniline is sourced from PubChem (CID 28969524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).