N-[(2-cyclopropylphenyl)methyl]-2-ethylaniline

C18H21N — CID 79979547

IUPACN-[(2-cyclopropylphenyl)methyl]-2-ethylaniline
SMILESCCc1ccccc1NCc1ccccc1C1CC1
InChIInChI=1S/C18H21N/c1-2-14-7-4-6-10-18(14)19-13-16-8-3-5-9-17(16)15-11-12-15/h3-10,15,19H,2,11-13H2,1H3
InChIKeyVIADDXFVRVYHJZ-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.74
Rot. Bonds5

About N-[(2-cyclopropylphenyl)methyl]-2-ethylaniline

N-[(2-cyclopropylphenyl)methyl]-2-ethylaniline (PubChem CID 79979547) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[(2-cyclopropylphenyl)methyl]-2-ethylaniline.

Molecular Properties

Compound NameN-[(2-cyclopropylphenyl)methyl]-2-ethylaniline
PubChem CID79979547
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC NameN-[(2-cyclopropylphenyl)methyl]-2-ethylaniline
SMILESCCc1ccccc1NCc1ccccc1C1CC1
InChIInChI=1S/C18H21N/c1-2-14-7-4-6-10-18(14)19-13-16-8-3-5-9-17(16)15-11-12-15/h3-10,15,19H,2,11-13H2,1H3
InChIKeyVIADDXFVRVYHJZ-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-[(2-cyclopropylphenyl)methylamino]phenyl]methanol
CID 79979361
N-[(2-cyclopropylphenyl)methyl]naphthalen-1-amine
CID 79968305
2-ethyl-N-[(2-ethylphenyl)methyl]aniline
CID 55197677
N-[(2-cyclopropylphenyl)methyl]-2-methylpropan-2-amine
CID 79888960
N-[(2-cyclopropylphenyl)methyl]-2-methylbutan-2-amine
CID 79889215
2,4-dichloro-N-[(2-cyclopropylphenyl)methyl]aniline
CID 79979680
N-[(2-cyclopropylphenyl)methyl]-2-methyl-5-nitroaniline
CID 79970577
N-[(2-cyclopropylphenyl)methyl]-4-methylsulfonylaniline
CID 79969795
2-cyclopropyl-N-[(2-cyclopropylphenyl)methyl]propan-2-amine
CID 113252305
4-bromo-N-[(2-cyclopropylphenyl)methyl]-2,5-difluoroaniline
CID 107609725
4-chloro-N-[(2-cyclopropylphenyl)methyl]pyridin-3-amine
CID 83167265
2-bromo-4-chloro-N-[(2-cyclopropylphenyl)methyl]aniline
CID 81263184

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropylphenyl)methyl]-2-ethylaniline?
The IUPAC name of N-[(2-cyclopropylphenyl)methyl]-2-ethylaniline (CID 79979547) is N-[(2-cyclopropylphenyl)methyl]-2-ethylaniline.
What is the SMILES notation for N-[(2-cyclopropylphenyl)methyl]-2-ethylaniline?
The canonical SMILES for N-[(2-cyclopropylphenyl)methyl]-2-ethylaniline is CCc1ccccc1NCc1ccccc1C1CC1.
What is the InChIKey of N-[(2-cyclopropylphenyl)methyl]-2-ethylaniline?
The InChIKey is VIADDXFVRVYHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-2-14-7-4-6-10-18(14)19-13-16-8-3-5-9-17(16)15-11-12-15/h3-10,15,19H,2,11-13H2,1H3.
What are the key properties of N-[(2-cyclopropylphenyl)methyl]-2-ethylaniline?
N-[(2-cyclopropylphenyl)methyl]-2-ethylaniline has a molecular weight of 251.37 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropylphenyl)methyl]-2-ethylaniline is sourced from PubChem (CID 79979547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).