4-methyl-N-(2-phenylpropyl)-2-propoxyaniline

C19H25NO — CID 63453079

IUPAC4-methyl-N-(2-phenylpropyl)-2-propoxyaniline
SMILESCCCOc1cc(C)ccc1NCC(C)c1ccccc1
InChIInChI=1S/C19H25NO/c1-4-12-21-19-13-15(2)10-11-18(19)20-14-16(3)17-8-6-5-7-9-17/h5-11,13,16,20H,4,12,14H2,1-3H3
InChIKeyHBPWGSDBLHJFOZ-UHFFFAOYSA-N
MW283.42 g/mol
LogP5.00
Rot. Bonds7

About 4-methyl-N-(2-phenylpropyl)-2-propoxyaniline

4-methyl-N-(2-phenylpropyl)-2-propoxyaniline (PubChem CID 63453079) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-methyl-N-(2-phenylpropyl)-2-propoxyaniline.

Molecular Properties

Compound Name4-methyl-N-(2-phenylpropyl)-2-propoxyaniline
PubChem CID63453079
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name4-methyl-N-(2-phenylpropyl)-2-propoxyaniline
SMILESCCCOc1cc(C)ccc1NCC(C)c1ccccc1
InChIInChI=1S/C19H25NO/c1-4-12-21-19-13-15(2)10-11-18(19)20-14-16(3)17-8-6-5-7-9-17/h5-11,13,16,20H,4,12,14H2,1-3H3
InChIKeyHBPWGSDBLHJFOZ-UHFFFAOYSA-N
XLogP5.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(4-methyl-2-propoxyphenyl)propanamide
CID 61062170
phenyl N-(4-methyl-2-propoxyphenyl)carbamate
CID 61216988
1-(4-methyl-2-propoxyphenyl)-3-(2-methylpropyl)urea
CID 47262023
N-(2-methylbutyl)-2-propoxyaniline
CID 43682211
N-benzyl-2-(2-methoxyethoxy)-4-methylaniline
CID 60935556
N-(2-methylpropyl)-2-propoxyaniline
CID 43682255
N-(furan-2-ylmethyl)-4-methyl-2-propoxyaniline
CID 54864634
N-[1-(4-iodophenyl)ethyl]-4-methyl-2-propoxyaniline
CID 63453295
N-[(5-ethylfuran-2-yl)methyl]-4-methyl-2-propoxyaniline
CID 62347253
2-methoxy-N-(4-methyl-2-propoxyphenyl)acetamide
CID 61062328
N-[(4-bromophenyl)methyl]-4-methyl-2-propoxyaniline
CID 63453167
4-methyl-N-(3-propan-2-ylcyclobutyl)-2-propoxyaniline
CID 103561671

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-phenylpropyl)-2-propoxyaniline?
The IUPAC name of 4-methyl-N-(2-phenylpropyl)-2-propoxyaniline (CID 63453079) is 4-methyl-N-(2-phenylpropyl)-2-propoxyaniline.
What is the SMILES notation for 4-methyl-N-(2-phenylpropyl)-2-propoxyaniline?
The canonical SMILES for 4-methyl-N-(2-phenylpropyl)-2-propoxyaniline is CCCOc1cc(C)ccc1NCC(C)c1ccccc1.
What is the InChIKey of 4-methyl-N-(2-phenylpropyl)-2-propoxyaniline?
The InChIKey is HBPWGSDBLHJFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-4-12-21-19-13-15(2)10-11-18(19)20-14-16(3)17-8-6-5-7-9-17/h5-11,13,16,20H,4,12,14H2,1-3H3.
What are the key properties of 4-methyl-N-(2-phenylpropyl)-2-propoxyaniline?
4-methyl-N-(2-phenylpropyl)-2-propoxyaniline has a molecular weight of 283.42 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-phenylpropyl)-2-propoxyaniline is sourced from PubChem (CID 63453079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).