4-(aminomethyl)-N-cyclopropyl-N-[(3,5-difluorophenyl)methyl]aniline

C17H18F2N2 — CID 105402832

IUPAC4-(aminomethyl)-N-cyclopropyl-N-[(3,5-difluorophenyl)methyl]aniline
SMILESNCc1ccc(N(Cc2cc(F)cc(F)c2)C2CC2)cc1
InChIInChI=1S/C17H18F2N2/c18-14-7-13(8-15(19)9-14)11-21(17-5-6-17)16-3-1-12(10-20)2-4-16/h1-4,7-9,17H,5-6,10-11,20H2
InChIKeyLWIWLSZIVFTYCQ-UHFFFAOYSA-N
MW288.34 g/mol
LogP3.59
Rot. Bonds5

About 4-(aminomethyl)-N-cyclopropyl-N-[(3,5-difluorophenyl)methyl]aniline

4-(aminomethyl)-N-cyclopropyl-N-[(3,5-difluorophenyl)methyl]aniline (PubChem CID 105402832) has the molecular formula C17H18F2N2 and a molecular weight of 288.34 g/mol. Its IUPAC name is 4-(aminomethyl)-N-cyclopropyl-N-[(3,5-difluorophenyl)methyl]aniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-cyclopropyl-N-[(3,5-difluorophenyl)methyl]aniline
PubChem CID105402832
Molecular FormulaC17H18F2N2
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Name4-(aminomethyl)-N-cyclopropyl-N-[(3,5-difluorophenyl)methyl]aniline
SMILESNCc1ccc(N(Cc2cc(F)cc(F)c2)C2CC2)cc1
InChIInChI=1S/C17H18F2N2/c18-14-7-13(8-15(19)9-14)11-21(17-5-6-17)16-3-1-12(10-20)2-4-16/h1-4,7-9,17H,5-6,10-11,20H2
InChIKeyLWIWLSZIVFTYCQ-UHFFFAOYSA-N
XLogP3.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

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2-[3-(aminomethyl)-N-cyclobutyl-5-fluoroanilino]ethanol
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4-(aminomethyl)-N-cyclopentyl-N-cyclopropylaniline
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N-[4-(aminomethyl)phenyl]-N-propylcycloheptanamine
CID 82927051
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CID 43276216
2-[4-(aminomethyl)-N-cyclopropylanilino]-N-carbamoylacetamide
CID 43276200
4-(aminomethyl)-N-cyclopropyl-N-(2-methylbutyl)aniline
CID 62105481
5-[4-(aminomethyl)-N-cyclopropylanilino]pentan-1-ol
CID 62228812
1-[4-(aminomethyl)-N-cyclopropylanilino]-3-methylbutan-2-ol
CID 114249457
N-benzyl-N-(4-fluorophenyl)cycloheptanamine
CID 67762250
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CID 106532772

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-cyclopropyl-N-[(3,5-difluorophenyl)methyl]aniline?
The IUPAC name of 4-(aminomethyl)-N-cyclopropyl-N-[(3,5-difluorophenyl)methyl]aniline (CID 105402832) is 4-(aminomethyl)-N-cyclopropyl-N-[(3,5-difluorophenyl)methyl]aniline.
What is the SMILES notation for 4-(aminomethyl)-N-cyclopropyl-N-[(3,5-difluorophenyl)methyl]aniline?
The canonical SMILES for 4-(aminomethyl)-N-cyclopropyl-N-[(3,5-difluorophenyl)methyl]aniline is NCc1ccc(N(Cc2cc(F)cc(F)c2)C2CC2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-cyclopropyl-N-[(3,5-difluorophenyl)methyl]aniline?
The InChIKey is LWIWLSZIVFTYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2/c18-14-7-13(8-15(19)9-14)11-21(17-5-6-17)16-3-1-12(10-20)2-4-16/h1-4,7-9,17H,5-6,10-11,20H2.
What are the key properties of 4-(aminomethyl)-N-cyclopropyl-N-[(3,5-difluorophenyl)methyl]aniline?
4-(aminomethyl)-N-cyclopropyl-N-[(3,5-difluorophenyl)methyl]aniline has a molecular weight of 288.34 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-cyclopropyl-N-[(3,5-difluorophenyl)methyl]aniline is sourced from PubChem (CID 105402832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).