N-[1-(2-methylphenyl)ethyl]-3-(2-methylpropoxy)aniline

C19H25NO — CID 63449937

IUPACN-[1-(2-methylphenyl)ethyl]-3-(2-methylpropoxy)aniline
SMILESCc1ccccc1C(C)Nc1cccc(OCC(C)C)c1
InChIInChI=1S/C19H25NO/c1-14(2)13-21-18-10-7-9-17(12-18)20-16(4)19-11-6-5-8-15(19)3/h5-12,14,16,20H,13H2,1-4H3
InChIKeyDHKHLTLXQQNEOB-UHFFFAOYSA-N
MW283.42 g/mol
LogP5.20
Rot. Bonds6

About N-[1-(2-methylphenyl)ethyl]-3-(2-methylpropoxy)aniline

N-[1-(2-methylphenyl)ethyl]-3-(2-methylpropoxy)aniline (PubChem CID 63449937) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[1-(2-methylphenyl)ethyl]-3-(2-methylpropoxy)aniline.

Molecular Properties

Compound NameN-[1-(2-methylphenyl)ethyl]-3-(2-methylpropoxy)aniline
PubChem CID63449937
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC NameN-[1-(2-methylphenyl)ethyl]-3-(2-methylpropoxy)aniline
SMILESCc1ccccc1C(C)Nc1cccc(OCC(C)C)c1
InChIInChI=1S/C19H25NO/c1-14(2)13-21-18-10-7-9-17(12-18)20-16(4)19-11-6-5-8-15(19)3/h5-12,14,16,20H,13H2,1-4H3
InChIKeyDHKHLTLXQQNEOB-UHFFFAOYSA-N
XLogP5.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.42
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methylpropoxy)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 63449719
2-[1-(3-ethoxyanilino)ethyl]phenol
CID 54865033
N-[1-(3-fluorophenyl)ethyl]-3-(2-methylpropoxy)aniline
CID 63449892
N-(3-methylpentan-2-yl)-3-(2-methylpropoxy)aniline
CID 63449668
N-[1-(2-chlorophenyl)ethyl]-3-ethoxyaniline
CID 54864881
3-(2-methylpropoxy)-N-(1-thiophen-3-ylethyl)aniline
CID 62091231
[3-(2-methylpropoxy)phenyl]hydrazine
CID 55281229
2-[3-(2-methylpropoxy)anilino]propanoic acid
CID 66174540
N-[3-[1-(2-methylphenyl)ethylamino]phenyl]acetamide
CID 43193741
3-(2-methylpropoxy)-N-(1-methylsulfonylpropan-2-yl)aniline
CID 64629546
N-[3-(2-methylpropoxy)phenyl]acetamide
CID 23343374
1,3-bis[3-(2-methylpropoxy)phenyl]urea
CID 17170442

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylphenyl)ethyl]-3-(2-methylpropoxy)aniline?
The IUPAC name of N-[1-(2-methylphenyl)ethyl]-3-(2-methylpropoxy)aniline (CID 63449937) is N-[1-(2-methylphenyl)ethyl]-3-(2-methylpropoxy)aniline.
What is the SMILES notation for N-[1-(2-methylphenyl)ethyl]-3-(2-methylpropoxy)aniline?
The canonical SMILES for N-[1-(2-methylphenyl)ethyl]-3-(2-methylpropoxy)aniline is Cc1ccccc1C(C)Nc1cccc(OCC(C)C)c1.
What is the InChIKey of N-[1-(2-methylphenyl)ethyl]-3-(2-methylpropoxy)aniline?
The InChIKey is DHKHLTLXQQNEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-14(2)13-21-18-10-7-9-17(12-18)20-16(4)19-11-6-5-8-15(19)3/h5-12,14,16,20H,13H2,1-4H3.
What are the key properties of N-[1-(2-methylphenyl)ethyl]-3-(2-methylpropoxy)aniline?
N-[1-(2-methylphenyl)ethyl]-3-(2-methylpropoxy)aniline has a molecular weight of 283.42 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylphenyl)ethyl]-3-(2-methylpropoxy)aniline is sourced from PubChem (CID 63449937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).