4-methyl-N-[(2-propoxyphenyl)methyl]aniline

C17H21NO — CID 39357777

IUPAC4-methyl-N-[(2-propoxyphenyl)methyl]aniline
SMILESCCCOc1ccccc1CNc1ccc(C)cc1
InChIInChI=1S/C17H21NO/c1-3-12-19-17-7-5-4-6-15(17)13-18-16-10-8-14(2)9-11-16/h4-11,18H,3,12-13H2,1-2H3
InChIKeyVOCNWWBAOMWEKN-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.40
Rot. Bonds6

About 4-methyl-N-[(2-propoxyphenyl)methyl]aniline

4-methyl-N-[(2-propoxyphenyl)methyl]aniline (PubChem CID 39357777) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-methyl-N-[(2-propoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name4-methyl-N-[(2-propoxyphenyl)methyl]aniline
PubChem CID39357777
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name4-methyl-N-[(2-propoxyphenyl)methyl]aniline
SMILESCCCOc1ccccc1CNc1ccc(C)cc1
InChIInChI=1S/C17H21NO/c1-3-12-19-17-7-5-4-6-15(17)13-18-16-10-8-14(2)9-11-16/h4-11,18H,3,12-13H2,1-2H3
InChIKeyVOCNWWBAOMWEKN-UHFFFAOYSA-N
XLogP4.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethoxy-N-[(2-propoxyphenyl)methyl]aniline
CID 39386882
4-propan-2-yloxy-N-[(2-propoxyphenyl)methyl]aniline
CID 39422587
4-(2-methoxyethoxy)-N-[(2-propoxyphenyl)methyl]aniline
CID 54799789
N-[(5-bromo-2-propoxyphenyl)methyl]-4-methylaniline
CID 43765740
4-fluoro-N-[(2-pentoxyphenyl)methyl]aniline
CID 54796466
N-[(2-butoxyphenyl)methyl]-4-tert-butylaniline
CID 39451770
4-heptoxy-N-[(2-pentoxyphenyl)methyl]aniline
CID 54799636
2-fluoro-N-[(2-propoxyphenyl)methyl]aniline
CID 39360343
4-chloro-N-[[2-(2-ethoxyethoxy)phenyl]methyl]aniline
CID 54796330
N-[(2-ethoxyphenyl)methyl]-3-propoxyaniline
CID 43693650
N-[(2-hexoxyphenyl)methyl]-4-propan-2-yloxyaniline
CID 54799867
2-[2-(anilinomethyl)phenoxy]-N-(4-methylphenyl)acetamide
CID 66538833

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2-propoxyphenyl)methyl]aniline?
The IUPAC name of 4-methyl-N-[(2-propoxyphenyl)methyl]aniline (CID 39357777) is 4-methyl-N-[(2-propoxyphenyl)methyl]aniline.
What is the SMILES notation for 4-methyl-N-[(2-propoxyphenyl)methyl]aniline?
The canonical SMILES for 4-methyl-N-[(2-propoxyphenyl)methyl]aniline is CCCOc1ccccc1CNc1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-[(2-propoxyphenyl)methyl]aniline?
The InChIKey is VOCNWWBAOMWEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-3-12-19-17-7-5-4-6-15(17)13-18-16-10-8-14(2)9-11-16/h4-11,18H,3,12-13H2,1-2H3.
What are the key properties of 4-methyl-N-[(2-propoxyphenyl)methyl]aniline?
4-methyl-N-[(2-propoxyphenyl)methyl]aniline has a molecular weight of 255.36 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2-propoxyphenyl)methyl]aniline is sourced from PubChem (CID 39357777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).