4-(aminomethyl)-2,6-difluoro-N-pentyl-N-propan-2-ylaniline

C15H24F2N2 — CID 55148129

IUPAC4-(aminomethyl)-2,6-difluoro-N-pentyl-N-propan-2-ylaniline
SMILESCCCCCN(c1c(F)cc(CN)cc1F)C(C)C
InChIInChI=1S/C15H24F2N2/c1-4-5-6-7-19(11(2)3)15-13(16)8-12(10-18)9-14(15)17/h8-9,11H,4-7,10,18H2,1-3H3
InChIKeyVPUHPQJWCPCNHX-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.83
Rot. Bonds7

About 4-(aminomethyl)-2,6-difluoro-N-pentyl-N-propan-2-ylaniline

4-(aminomethyl)-2,6-difluoro-N-pentyl-N-propan-2-ylaniline (PubChem CID 55148129) has the molecular formula C15H24F2N2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4-(aminomethyl)-2,6-difluoro-N-pentyl-N-propan-2-ylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-2,6-difluoro-N-pentyl-N-propan-2-ylaniline
PubChem CID55148129
Molecular FormulaC15H24F2N2
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name4-(aminomethyl)-2,6-difluoro-N-pentyl-N-propan-2-ylaniline
SMILESCCCCCN(c1c(F)cc(CN)cc1F)C(C)C
InChIInChI=1S/C15H24F2N2/c1-4-5-6-7-19(11(2)3)15-13(16)8-12(10-18)9-14(15)17/h8-9,11H,4-7,10,18H2,1-3H3
InChIKeyVPUHPQJWCPCNHX-UHFFFAOYSA-N
XLogP3.83
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(bromomethyl)-2,6-difluoro-N-pentyl-N-propan-2-ylaniline
CID 107081894
4-(ethylaminomethyl)-2,6-difluoro-N-pentyl-N-propan-2-ylaniline
CID 63553234
3,5-difluoro-4-[pentyl(propan-2-yl)amino]benzenecarboximidamide
CID 81294671
4-(aminomethyl)-N-benzyl-2,6-difluoro-N-propan-2-ylaniline
CID 63050914
3-(2-aminoethyl)-5-fluoro-N-pentyl-N-propan-2-ylaniline
CID 106532663
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-propan-2-ylpentan-1-amine
CID 55001858
4-[(1S)-1-aminoethyl]-2-fluoro-N-pentyl-N-propan-2-ylaniline
CID 55188895
4-(aminomethyl)-N-cyclopropyl-2,6-difluoro-N-propylaniline
CID 63052124
3-(ethylaminomethyl)-5-fluoro-N-pentyl-N-propan-2-ylaniline
CID 106532666
4-(2-aminopropyl)-N,N-dibutyl-2,6-difluoroaniline
CID 63787284
4-[1-(ethylamino)ethyl]-2-fluoro-N-pentyl-N-propan-2-ylaniline
CID 63532999
2,6-difluoro-1-N-(2-methylpropyl)-1-N-propan-2-ylbenzene-1,4-diamine
CID 55001105

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2,6-difluoro-N-pentyl-N-propan-2-ylaniline?
The IUPAC name of 4-(aminomethyl)-2,6-difluoro-N-pentyl-N-propan-2-ylaniline (CID 55148129) is 4-(aminomethyl)-2,6-difluoro-N-pentyl-N-propan-2-ylaniline.
What is the SMILES notation for 4-(aminomethyl)-2,6-difluoro-N-pentyl-N-propan-2-ylaniline?
The canonical SMILES for 4-(aminomethyl)-2,6-difluoro-N-pentyl-N-propan-2-ylaniline is CCCCCN(c1c(F)cc(CN)cc1F)C(C)C.
What is the InChIKey of 4-(aminomethyl)-2,6-difluoro-N-pentyl-N-propan-2-ylaniline?
The InChIKey is VPUHPQJWCPCNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N2/c1-4-5-6-7-19(11(2)3)15-13(16)8-12(10-18)9-14(15)17/h8-9,11H,4-7,10,18H2,1-3H3.
What are the key properties of 4-(aminomethyl)-2,6-difluoro-N-pentyl-N-propan-2-ylaniline?
4-(aminomethyl)-2,6-difluoro-N-pentyl-N-propan-2-ylaniline has a molecular weight of 270.37 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2,6-difluoro-N-pentyl-N-propan-2-ylaniline is sourced from PubChem (CID 55148129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).