N-methyl-2-(3-phenylpropoxy)aniline

C16H19NO — CID 54803384

IUPACN-methyl-2-(3-phenylpropoxy)aniline
SMILESCNc1ccccc1OCCCc1ccccc1
InChIInChI=1S/C16H19NO/c1-17-15-11-5-6-12-16(15)18-13-7-10-14-8-3-2-4-9-14/h2-6,8-9,11-12,17H,7,10,13H2,1H3
InChIKeyOGYOPBPWEMGYGX-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.74
Rot. Bonds6

About N-methyl-2-(3-phenylpropoxy)aniline

N-methyl-2-(3-phenylpropoxy)aniline (PubChem CID 54803384) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is N-methyl-2-(3-phenylpropoxy)aniline.

Molecular Properties

Compound NameN-methyl-2-(3-phenylpropoxy)aniline
PubChem CID54803384
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC NameN-methyl-2-(3-phenylpropoxy)aniline
SMILESCNc1ccccc1OCCCc1ccccc1
InChIInChI=1S/C16H19NO/c1-17-15-11-5-6-12-16(15)18-13-7-10-14-8-3-2-4-9-14/h2-6,8-9,11-12,17H,7,10,13H2,1H3
InChIKeyOGYOPBPWEMGYGX-UHFFFAOYSA-N
XLogP3.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(methylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54820711
N-methylmethanamine;1-(3-phenylpropoxy)naphthalene
CID 142048688
N-[[2-(2-phenylethoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline
CID 54801323
2-(3-phenylpropoxy)-N-[(2-propoxyphenyl)methyl]aniline
CID 54801329
N-[2-(2-tert-butylphenoxy)ethyl]-2-(3-phenylpropoxy)aniline
CID 54801302
N-[2-(4-phenylbutoxy)phenyl]formamide
CID 150186708
2-cyano-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 168520539
N,N'-bis[2-(3-phenylpropoxy)phenyl]decanediamide
CID 17131518
2-(dipropylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54818625
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-phenylpropoxy)aniline
CID 54801441
2-[2-(3-phenylpropoxy)anilino]-N,N-dipropylacetamide
CID 54827103
1-methyl-3-[2-(2-phenylethoxy)phenyl]urea
CID 47033729

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-phenylpropoxy)aniline?
The IUPAC name of N-methyl-2-(3-phenylpropoxy)aniline (CID 54803384) is N-methyl-2-(3-phenylpropoxy)aniline.
What is the SMILES notation for N-methyl-2-(3-phenylpropoxy)aniline?
The canonical SMILES for N-methyl-2-(3-phenylpropoxy)aniline is CNc1ccccc1OCCCc1ccccc1.
What is the InChIKey of N-methyl-2-(3-phenylpropoxy)aniline?
The InChIKey is OGYOPBPWEMGYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-17-15-11-5-6-12-16(15)18-13-7-10-14-8-3-2-4-9-14/h2-6,8-9,11-12,17H,7,10,13H2,1H3.
What are the key properties of N-methyl-2-(3-phenylpropoxy)aniline?
N-methyl-2-(3-phenylpropoxy)aniline has a molecular weight of 241.33 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-phenylpropoxy)aniline is sourced from PubChem (CID 54803384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).