N-methyl-3-(4-propoxyphenyl)aniline

C16H19NO — CID 106505758

IUPACN-methyl-3-(4-propoxyphenyl)aniline
SMILESCCCOc1ccc(-c2cccc(NC)c2)cc1
InChIInChI=1S/C16H19NO/c1-3-11-18-16-9-7-13(8-10-16)14-5-4-6-15(12-14)17-2/h4-10,12,17H,3,11H2,1-2H3
InChIKeyNPLMWPDZFDSVKQ-UHFFFAOYSA-N
MW241.33 g/mol
LogP4.18
Rot. Bonds5

About N-methyl-3-(4-propoxyphenyl)aniline

N-methyl-3-(4-propoxyphenyl)aniline (PubChem CID 106505758) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is N-methyl-3-(4-propoxyphenyl)aniline.

Molecular Properties

Compound NameN-methyl-3-(4-propoxyphenyl)aniline
PubChem CID106505758
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC NameN-methyl-3-(4-propoxyphenyl)aniline
SMILESCCCOc1ccc(-c2cccc(NC)c2)cc1
InChIInChI=1S/C16H19NO/c1-3-11-18-16-9-7-13(8-10-16)14-5-4-6-15(12-14)17-2/h4-10,12,17H,3,11H2,1-2H3
InChIKeyNPLMWPDZFDSVKQ-UHFFFAOYSA-N
XLogP4.18
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 ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-iodo-3-(4-propoxyphenyl)benzene
CID 143253633
3-(5-ethoxy-3-pyridinyl)-N-methylaniline
CID 106505817
4-(4-ethoxyphenyl)-N-methylaniline
CID 83643476
1-[2-methoxy-5-(4-propoxyphenyl)phenyl]-N-methylmethanamine
CID 62797291
3-propoxy-N-[(4-propoxyphenyl)methyl]aniline
CID 54800585
1-pentoxy-4-phenylbenzene
CID 7021155
(4-propoxyphenyl)-[4-[4-[4-[(4-propoxyphenyl)diazenyl]phenyl]phenyl]phenyl]diazene
CID 139387262
ethyl 2-amino-3-[4-[3-(methylamino)phenyl]phenyl]propanoate
CID 91249652
N-methyl-1-[4-(4-propoxyphenyl)phenyl]propan-1-amine
CID 63425079
4-hexoxy-N-methylaniline
CID 54803445
1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 10700210
3-[2-(2-hexoxyethoxy)ethoxy]-N-methylaniline
CID 58828283

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-propoxyphenyl)aniline?
The IUPAC name of N-methyl-3-(4-propoxyphenyl)aniline (CID 106505758) is N-methyl-3-(4-propoxyphenyl)aniline.
What is the SMILES notation for N-methyl-3-(4-propoxyphenyl)aniline?
The canonical SMILES for N-methyl-3-(4-propoxyphenyl)aniline is CCCOc1ccc(-c2cccc(NC)c2)cc1.
What is the InChIKey of N-methyl-3-(4-propoxyphenyl)aniline?
The InChIKey is NPLMWPDZFDSVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-3-11-18-16-9-7-13(8-10-16)14-5-4-6-15(12-14)17-2/h4-10,12,17H,3,11H2,1-2H3.
What are the key properties of N-methyl-3-(4-propoxyphenyl)aniline?
N-methyl-3-(4-propoxyphenyl)aniline has a molecular weight of 241.33 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-propoxyphenyl)aniline is sourced from PubChem (CID 106505758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).