3-chloro-N-[(3-cyclopropylphenyl)methyl]aniline

C16H16ClN — CID 79979180

IUPAC3-chloro-N-[(3-cyclopropylphenyl)methyl]aniline
SMILESClc1cccc(NCc2cccc(C3CC3)c2)c1
InChIInChI=1S/C16H16ClN/c17-15-5-2-6-16(10-15)18-11-12-3-1-4-14(9-12)13-7-8-13/h1-6,9-10,13,18H,7-8,11H2
InChIKeyBDIUJKLBOGDDES-UHFFFAOYSA-N
MW257.76 g/mol
LogP4.83
Rot. Bonds4

About 3-chloro-N-[(3-cyclopropylphenyl)methyl]aniline

3-chloro-N-[(3-cyclopropylphenyl)methyl]aniline (PubChem CID 79979180) has the molecular formula C16H16ClN and a molecular weight of 257.76 g/mol. Its IUPAC name is 3-chloro-N-[(3-cyclopropylphenyl)methyl]aniline.

Molecular Properties

Compound Name3-chloro-N-[(3-cyclopropylphenyl)methyl]aniline
PubChem CID79979180
Molecular FormulaC16H16ClN
Molecular Weight257.76 g/mol
Exact Mass257.10
IUPAC Name3-chloro-N-[(3-cyclopropylphenyl)methyl]aniline
SMILESClc1cccc(NCc2cccc(C3CC3)c2)c1
InChIInChI=1S/C16H16ClN/c17-15-5-2-6-16(10-15)18-11-12-3-1-4-14(9-12)13-7-8-13/h1-6,9-10,13,18H,7-8,11H2
InChIKeyBDIUJKLBOGDDES-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-dichloro-N-[(3-cyclopropylphenyl)methyl]aniline
CID 79978669
4-chloro-N-[(3-cyclopropylphenyl)methyl]-3-fluoroaniline
CID 79979141
5-chloro-N-[(3-cyclopropylphenyl)methyl]-2-fluoroaniline
CID 79979636
4-chloro-N-[(3-cyclopropylphenyl)methyl]-2-methylaniline
CID 79979115
4-bromo-N-[(3-cyclopropylphenyl)methyl]aniline
CID 79979328
N-[(3-cyclopropylphenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 79969495
N-[(3-cyclopropylphenyl)methyl]-4-methylsulfanylaniline
CID 79979176
2-chloro-N-[(3-cyclopropylphenyl)methyl]-6-methylaniline
CID 79984098
4-bromo-N-[(3-cyclopropylphenyl)methyl]-3-methoxyaniline
CID 82858145
4-bromo-2-chloro-N-[(3-cyclopropylphenyl)methyl]aniline
CID 79979060
2,5-dichloro-N-[(3-cyclopropylphenyl)methyl]-4-methylaniline
CID 104725967
3-chloro-N-[(4-iodophenyl)methyl]aniline
CID 65477156

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3-cyclopropylphenyl)methyl]aniline?
The IUPAC name of 3-chloro-N-[(3-cyclopropylphenyl)methyl]aniline (CID 79979180) is 3-chloro-N-[(3-cyclopropylphenyl)methyl]aniline.
What is the SMILES notation for 3-chloro-N-[(3-cyclopropylphenyl)methyl]aniline?
The canonical SMILES for 3-chloro-N-[(3-cyclopropylphenyl)methyl]aniline is Clc1cccc(NCc2cccc(C3CC3)c2)c1.
What is the InChIKey of 3-chloro-N-[(3-cyclopropylphenyl)methyl]aniline?
The InChIKey is BDIUJKLBOGDDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN/c17-15-5-2-6-16(10-15)18-11-12-3-1-4-14(9-12)13-7-8-13/h1-6,9-10,13,18H,7-8,11H2.
What are the key properties of 3-chloro-N-[(3-cyclopropylphenyl)methyl]aniline?
3-chloro-N-[(3-cyclopropylphenyl)methyl]aniline has a molecular weight of 257.76 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3-cyclopropylphenyl)methyl]aniline is sourced from PubChem (CID 79979180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).