N-[1-(2-methylphenyl)ethyl]-4-propan-2-ylaniline

C18H23N — CID 43099518

IUPACN-[1-(2-methylphenyl)ethyl]-4-propan-2-ylaniline
SMILESCc1ccccc1C(C)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C18H23N/c1-13(2)16-9-11-17(12-10-16)19-15(4)18-8-6-5-7-14(18)3/h5-13,15,19H,1-4H3
InChIKeyOYHCBBSIDXSLSL-UHFFFAOYSA-N
MW253.39 g/mol
LogP5.29
Rot. Bonds4

About N-[1-(2-methylphenyl)ethyl]-4-propan-2-ylaniline

N-[1-(2-methylphenyl)ethyl]-4-propan-2-ylaniline (PubChem CID 43099518) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[1-(2-methylphenyl)ethyl]-4-propan-2-ylaniline.

Molecular Properties

Compound NameN-[1-(2-methylphenyl)ethyl]-4-propan-2-ylaniline
PubChem CID43099518
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC NameN-[1-(2-methylphenyl)ethyl]-4-propan-2-ylaniline
SMILESCc1ccccc1C(C)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C18H23N/c1-13(2)16-9-11-17(12-10-16)19-15(4)18-8-6-5-7-14(18)3/h5-13,15,19H,1-4H3
InChIKeyOYHCBBSIDXSLSL-UHFFFAOYSA-N
XLogP5.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.39
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-difluoro-N-[1-(2-methylphenyl)ethyl]aniline
CID 43193860
3-fluoro-4-methyl-N-[1-(2-methylphenyl)ethyl]aniline
CID 43101633
4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline
CID 43093665
1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1,2-xylene
CID 159734300
2-chloro-4-[1-(2-methylphenyl)ethylamino]benzonitrile
CID 43347988
4-(1H-imidazol-5-yl)-N-[1-(2-methylphenyl)ethyl]aniline
CID 43722465
2-methyl-5-[1-(2-methylphenyl)ethylamino]benzenesulfonamide
CID 43101041
5-[1-(2-methylphenyl)ethylamino]isoindole-1,3-dione
CID 43197044
1-[(1S)-2-methyl-1-(2-methylphenyl)propyl]-3-(4-propan-2-ylphenyl)thiourea
CID 100745592
N-[1-(2,4-dichlorophenyl)ethyl]-4-propan-2-ylaniline
CID 43102770
2-N,2-N-diethyl-5-N-[1-(2-methylphenyl)ethyl]pyridine-2,5-diamine
CID 43697435
N-[3-[1-(2-methylphenyl)ethylamino]phenyl]acetamide
CID 43193741

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylphenyl)ethyl]-4-propan-2-ylaniline?
The IUPAC name of N-[1-(2-methylphenyl)ethyl]-4-propan-2-ylaniline (CID 43099518) is N-[1-(2-methylphenyl)ethyl]-4-propan-2-ylaniline.
What is the SMILES notation for N-[1-(2-methylphenyl)ethyl]-4-propan-2-ylaniline?
The canonical SMILES for N-[1-(2-methylphenyl)ethyl]-4-propan-2-ylaniline is Cc1ccccc1C(C)Nc1ccc(C(C)C)cc1.
What is the InChIKey of N-[1-(2-methylphenyl)ethyl]-4-propan-2-ylaniline?
The InChIKey is OYHCBBSIDXSLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-13(2)16-9-11-17(12-10-16)19-15(4)18-8-6-5-7-14(18)3/h5-13,15,19H,1-4H3.
What are the key properties of N-[1-(2-methylphenyl)ethyl]-4-propan-2-ylaniline?
N-[1-(2-methylphenyl)ethyl]-4-propan-2-ylaniline has a molecular weight of 253.39 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylphenyl)ethyl]-4-propan-2-ylaniline is sourced from PubChem (CID 43099518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).