3,5-dichloro-N-[(3-cyclopropylphenyl)methyl]aniline

C16H15Cl2N — CID 79978669

IUPAC3,5-dichloro-N-[(3-cyclopropylphenyl)methyl]aniline
SMILESClc1cc(Cl)cc(NCc2cccc(C3CC3)c2)c1
InChIInChI=1S/C16H15Cl2N/c17-14-7-15(18)9-16(8-14)19-10-11-2-1-3-13(6-11)12-4-5-12/h1-3,6-9,12,19H,4-5,10H2
InChIKeyDNNHOVWXACUUPV-UHFFFAOYSA-N
MW292.21 g/mol
LogP5.48
Rot. Bonds4

About 3,5-dichloro-N-[(3-cyclopropylphenyl)methyl]aniline

3,5-dichloro-N-[(3-cyclopropylphenyl)methyl]aniline (PubChem CID 79978669) has the molecular formula C16H15Cl2N and a molecular weight of 292.21 g/mol. Its IUPAC name is 3,5-dichloro-N-[(3-cyclopropylphenyl)methyl]aniline.

Molecular Properties

Compound Name3,5-dichloro-N-[(3-cyclopropylphenyl)methyl]aniline
PubChem CID79978669
Molecular FormulaC16H15Cl2N
Molecular Weight292.21 g/mol
Exact Mass291.06
IUPAC Name3,5-dichloro-N-[(3-cyclopropylphenyl)methyl]aniline
SMILESClc1cc(Cl)cc(NCc2cccc(C3CC3)c2)c1
InChIInChI=1S/C16H15Cl2N/c17-14-7-15(18)9-16(8-14)19-10-11-2-1-3-13(6-11)12-4-5-12/h1-3,6-9,12,19H,4-5,10H2
InChIKeyDNNHOVWXACUUPV-UHFFFAOYSA-N
XLogP5.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.21
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-N-[(3-cyclopropylphenyl)methyl]aniline
CID 79979180
4-chloro-N-[(3-cyclopropylphenyl)methyl]-3-fluoroaniline
CID 79979141
4-bromo-N-[(3-cyclopropylphenyl)methyl]aniline
CID 79979328
5-chloro-N-[(3-cyclopropylphenyl)methyl]-2-fluoroaniline
CID 79979636
4-chloro-N-[(3-cyclopropylphenyl)methyl]-2-methylaniline
CID 79979115
N-[(3-cyclopropylphenyl)methyl]-4-methylsulfanylaniline
CID 79979176
2-chloro-N-[(3-cyclopropylphenyl)methyl]-6-methylaniline
CID 79984098
3-bromo-5-chloro-N-[(3-cyclopropylphenyl)methyl]-2-methoxyaniline
CID 79968458
4-bromo-2-chloro-N-[(3-cyclopropylphenyl)methyl]aniline
CID 79979060
N-[(3-cyclopropylphenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 79969495
2,5-dichloro-N-[(3-cyclopropylphenyl)methyl]-4-methylaniline
CID 104725967
N-[(3-cyclopropylphenyl)methyl]-2,4,6-trifluoroaniline
CID 79983784

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(3-cyclopropylphenyl)methyl]aniline?
The IUPAC name of 3,5-dichloro-N-[(3-cyclopropylphenyl)methyl]aniline (CID 79978669) is 3,5-dichloro-N-[(3-cyclopropylphenyl)methyl]aniline.
What is the SMILES notation for 3,5-dichloro-N-[(3-cyclopropylphenyl)methyl]aniline?
The canonical SMILES for 3,5-dichloro-N-[(3-cyclopropylphenyl)methyl]aniline is Clc1cc(Cl)cc(NCc2cccc(C3CC3)c2)c1.
What is the InChIKey of 3,5-dichloro-N-[(3-cyclopropylphenyl)methyl]aniline?
The InChIKey is DNNHOVWXACUUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N/c17-14-7-15(18)9-16(8-14)19-10-11-2-1-3-13(6-11)12-4-5-12/h1-3,6-9,12,19H,4-5,10H2.
What are the key properties of 3,5-dichloro-N-[(3-cyclopropylphenyl)methyl]aniline?
3,5-dichloro-N-[(3-cyclopropylphenyl)methyl]aniline has a molecular weight of 292.21 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[(3-cyclopropylphenyl)methyl]aniline is sourced from PubChem (CID 79978669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).