N-[(2-ethylphenyl)methyl]-3-propan-2-ylaniline

C18H23N — CID 63421353

IUPACN-[(2-ethylphenyl)methyl]-3-propan-2-ylaniline
SMILESCCc1ccccc1CNc1cccc(C(C)C)c1
InChIInChI=1S/C18H23N/c1-4-15-8-5-6-9-17(15)13-19-18-11-7-10-16(12-18)14(2)3/h5-12,14,19H,4,13H2,1-3H3
InChIKeyMQTSZHPOYMRSES-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.98
Rot. Bonds5

About N-[(2-ethylphenyl)methyl]-3-propan-2-ylaniline

N-[(2-ethylphenyl)methyl]-3-propan-2-ylaniline (PubChem CID 63421353) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[(2-ethylphenyl)methyl]-3-propan-2-ylaniline.

Molecular Properties

Compound NameN-[(2-ethylphenyl)methyl]-3-propan-2-ylaniline
PubChem CID63421353
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC NameN-[(2-ethylphenyl)methyl]-3-propan-2-ylaniline
SMILESCCc1ccccc1CNc1cccc(C(C)C)c1
InChIInChI=1S/C18H23N/c1-4-15-8-5-6-9-17(15)13-19-18-11-7-10-16(12-18)14(2)3/h5-12,14,19H,4,13H2,1-3H3
InChIKeyMQTSZHPOYMRSES-UHFFFAOYSA-N
XLogP4.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(2-ethylphenyl)methyl]-3-propan-2-ylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-ethylphenyl)methyl]-3-methylaniline
CID 21444100
3-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 43768953
N-[(2-methyl-3-nitrophenyl)methyl]-3-propan-2-ylaniline
CID 43509053
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-3-propan-2-ylaniline
CID 79605545
2-(2-hydroxyphenyl)-N-(3-propan-2-ylphenyl)acetamide
CID 78990924
3-chloro-N-[(2-ethylphenyl)methyl]-4-propan-2-yloxyaniline
CID 63445695
3-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 29299237
N-[2-(2-nitrophenyl)ethyl]-3-propan-2-ylaniline
CID 63062607
N-[(4-ethoxyphenyl)methyl]-3-propan-2-ylaniline
CID 28545977
N-[(2-ethylphenyl)methyl]-3-(1,2,4-triazol-4-yl)aniline
CID 62391060
N-(methylsulfanylmethyl)-3-propan-2-ylaniline
CID 139386106
2-(3-propan-2-ylanilino)ethanol
CID 28973580

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylphenyl)methyl]-3-propan-2-ylaniline?
The IUPAC name of N-[(2-ethylphenyl)methyl]-3-propan-2-ylaniline (CID 63421353) is N-[(2-ethylphenyl)methyl]-3-propan-2-ylaniline.
What is the SMILES notation for N-[(2-ethylphenyl)methyl]-3-propan-2-ylaniline?
The canonical SMILES for N-[(2-ethylphenyl)methyl]-3-propan-2-ylaniline is CCc1ccccc1CNc1cccc(C(C)C)c1.
What is the InChIKey of N-[(2-ethylphenyl)methyl]-3-propan-2-ylaniline?
The InChIKey is MQTSZHPOYMRSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-4-15-8-5-6-9-17(15)13-19-18-11-7-10-16(12-18)14(2)3/h5-12,14,19H,4,13H2,1-3H3.
What are the key properties of N-[(2-ethylphenyl)methyl]-3-propan-2-ylaniline?
N-[(2-ethylphenyl)methyl]-3-propan-2-ylaniline has a molecular weight of 253.39 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylphenyl)methyl]-3-propan-2-ylaniline is sourced from PubChem (CID 63421353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).