4-fluoro-N-pentyl-N-propan-2-yl-2-[(propan-2-ylamino)methyl]aniline

C18H31FN2 — CID 63551569

IUPAC4-fluoro-N-pentyl-N-propan-2-yl-2-[(propan-2-ylamino)methyl]aniline
SMILESCCCCCN(c1ccc(F)cc1CNC(C)C)C(C)C
InChIInChI=1S/C18H31FN2/c1-6-7-8-11-21(15(4)5)18-10-9-17(19)12-16(18)13-20-14(2)3/h9-10,12,14-15,20H,6-8,11,13H2,1-5H3
InChIKeyWCNRGMKQKJOVQI-UHFFFAOYSA-N
MW294.46 g/mol
LogP4.73
Rot. Bonds9

About 4-fluoro-N-pentyl-N-propan-2-yl-2-[(propan-2-ylamino)methyl]aniline

4-fluoro-N-pentyl-N-propan-2-yl-2-[(propan-2-ylamino)methyl]aniline (PubChem CID 63551569) has the molecular formula C18H31FN2 and a molecular weight of 294.46 g/mol. Its IUPAC name is 4-fluoro-N-pentyl-N-propan-2-yl-2-[(propan-2-ylamino)methyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-pentyl-N-propan-2-yl-2-[(propan-2-ylamino)methyl]aniline
PubChem CID63551569
Molecular FormulaC18H31FN2
Molecular Weight294.46 g/mol
Exact Mass294.25
IUPAC Name4-fluoro-N-pentyl-N-propan-2-yl-2-[(propan-2-ylamino)methyl]aniline
SMILESCCCCCN(c1ccc(F)cc1CNC(C)C)C(C)C
InChIInChI=1S/C18H31FN2/c1-6-7-8-11-21(15(4)5)18-10-9-17(19)12-16(18)13-20-14(2)3/h9-10,12,14-15,20H,6-8,11,13H2,1-5H3
InChIKeyWCNRGMKQKJOVQI-UHFFFAOYSA-N
XLogP4.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 54.73
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-fluoro-2-(methylaminomethyl)-N-propan-2-yl-N-propylaniline
CID 43313954
2-(ethylaminomethyl)-4-fluoro-N-propan-2-yl-N-propylaniline
CID 43313953
4-fluoro-N-methyl-N-(4-methylpentan-2-yl)-2-[(propan-2-ylamino)methyl]aniline
CID 63553420
N-butan-2-yl-N-butyl-2-(ethylaminomethyl)-4-fluoroaniline
CID 63551014
2-(ethylaminomethyl)-4-fluoro-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 82961156
2-(2-aminopropyl)-4-fluoro-N-propan-2-yl-N-propylaniline
CID 63785632
5-fluoro-N'-hydroxy-2-[pentyl(propan-2-yl)amino]benzenecarboximidamide
CID 77004426
4-fluoro-N-methyl-N-phenyl-2-[(propan-2-ylamino)methyl]aniline
CID 43313686
4-[1-(ethylamino)ethyl]-2-fluoro-N-pentyl-N-propan-2-ylaniline
CID 63532999
N,N-dibutyl-2-(ethylaminomethyl)-4-fluoroaniline
CID 43313896
N-[(2,5-difluorophenyl)methyl]hexan-2-amine
CID 62196749
N-[(5-fluoro-2-methylphenyl)methyl]octan-2-amine
CID 105370909

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-pentyl-N-propan-2-yl-2-[(propan-2-ylamino)methyl]aniline?
The IUPAC name of 4-fluoro-N-pentyl-N-propan-2-yl-2-[(propan-2-ylamino)methyl]aniline (CID 63551569) is 4-fluoro-N-pentyl-N-propan-2-yl-2-[(propan-2-ylamino)methyl]aniline.
What is the SMILES notation for 4-fluoro-N-pentyl-N-propan-2-yl-2-[(propan-2-ylamino)methyl]aniline?
The canonical SMILES for 4-fluoro-N-pentyl-N-propan-2-yl-2-[(propan-2-ylamino)methyl]aniline is CCCCCN(c1ccc(F)cc1CNC(C)C)C(C)C.
What is the InChIKey of 4-fluoro-N-pentyl-N-propan-2-yl-2-[(propan-2-ylamino)methyl]aniline?
The InChIKey is WCNRGMKQKJOVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31FN2/c1-6-7-8-11-21(15(4)5)18-10-9-17(19)12-16(18)13-20-14(2)3/h9-10,12,14-15,20H,6-8,11,13H2,1-5H3.
What are the key properties of 4-fluoro-N-pentyl-N-propan-2-yl-2-[(propan-2-ylamino)methyl]aniline?
4-fluoro-N-pentyl-N-propan-2-yl-2-[(propan-2-ylamino)methyl]aniline has a molecular weight of 294.46 g/mol, XLogP of 4.73, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-pentyl-N-propan-2-yl-2-[(propan-2-ylamino)methyl]aniline is sourced from PubChem (CID 63551569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).