4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]-N-propan-2-ylaniline

C17H20F2N2 — CID 82915692

IUPAC4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]-N-propan-2-ylaniline
SMILESCC(C)N(Cc1ccc(F)c(F)c1)c1ccc(CN)cc1
InChIInChI=1S/C17H20F2N2/c1-12(2)21(15-6-3-13(10-20)4-7-15)11-14-5-8-16(18)17(19)9-14/h3-9,12H,10-11,20H2,1-2H3
InChIKeyFWKMFFBATLRYLZ-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.84
Rot. Bonds5

About 4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]-N-propan-2-ylaniline

4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]-N-propan-2-ylaniline (PubChem CID 82915692) has the molecular formula C17H20F2N2 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]-N-propan-2-ylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]-N-propan-2-ylaniline
PubChem CID82915692
Molecular FormulaC17H20F2N2
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]-N-propan-2-ylaniline
SMILESCC(C)N(Cc1ccc(F)c(F)c1)c1ccc(CN)cc1
InChIInChI=1S/C17H20F2N2/c1-12(2)21(15-6-3-13(10-20)4-7-15)11-14-5-8-16(18)17(19)9-14/h3-9,12H,10-11,20H2,1-2H3
InChIKeyFWKMFFBATLRYLZ-UHFFFAOYSA-N
XLogP3.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.84
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

4-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-propan-2-ylaniline
CID 43276120
4-(aminomethyl)-N-[(5-methyl-3-pyridinyl)methyl]-N-propan-2-ylaniline
CID 102880574
4-(aminomethyl)-N-benzyl-2,6-difluoro-N-propan-2-ylaniline
CID 63050914
4-(aminomethyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylaniline
CID 43275566
[4-(3,4-difluorophenyl)phenyl]methanamine
CID 61033518
N-[(3,4-difluorophenyl)methyl]-N-propylpropan-1-amine
CID 78821646
4-(aminomethyl)-N-butan-2-yl-N-ethylaniline
CID 43274064
4-(aminomethyl)-N-(3-methoxypropyl)-N-propan-2-ylaniline
CID 54935598
N-[(4-chlorophenyl)methyl]-4-methoxy-N-propan-2-ylaniline
CID 154621165
2-[(3,4-difluorophenyl)methyl-propan-2-ylamino]acetonitrile
CID 78983119
3-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 102813686
[4-(aminomethyl)phenyl]-(3,4-difluorophenyl)methanamine
CID 116937056

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]-N-propan-2-ylaniline?
The IUPAC name of 4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]-N-propan-2-ylaniline (CID 82915692) is 4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]-N-propan-2-ylaniline.
What is the SMILES notation for 4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]-N-propan-2-ylaniline?
The canonical SMILES for 4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]-N-propan-2-ylaniline is CC(C)N(Cc1ccc(F)c(F)c1)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]-N-propan-2-ylaniline?
The InChIKey is FWKMFFBATLRYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2/c1-12(2)21(15-6-3-13(10-20)4-7-15)11-14-5-8-16(18)17(19)9-14/h3-9,12H,10-11,20H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]-N-propan-2-ylaniline?
4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]-N-propan-2-ylaniline has a molecular weight of 290.36 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]-N-propan-2-ylaniline is sourced from PubChem (CID 82915692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).