1-N-[2-(4-fluorophenyl)-2-methylpropyl]-2-propylbenzene-1,4-diamine

C19H25FN2 — CID 142297378

IUPAC1-N-[2-(4-fluorophenyl)-2-methylpropyl]-2-propylbenzene-1,4-diamine
SMILESCCCc1cc(N)ccc1NCC(C)(C)c1ccc(F)cc1
InChIInChI=1S/C19H25FN2/c1-4-5-14-12-17(21)10-11-18(14)22-13-19(2,3)15-6-8-16(20)9-7-15/h6-12,22H,4-5,13,21H2,1-3H3
InChIKeyMMZVJFWTBHKVIW-UHFFFAOYSA-N
MW300.42 g/mol
LogP4.75
Rot. Bonds6

About 1-N-[2-(4-fluorophenyl)-2-methylpropyl]-2-propylbenzene-1,4-diamine

1-N-[2-(4-fluorophenyl)-2-methylpropyl]-2-propylbenzene-1,4-diamine (PubChem CID 142297378) has the molecular formula C19H25FN2 and a molecular weight of 300.42 g/mol. Its IUPAC name is 1-N-[2-(4-fluorophenyl)-2-methylpropyl]-2-propylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[2-(4-fluorophenyl)-2-methylpropyl]-2-propylbenzene-1,4-diamine
PubChem CID142297378
Molecular FormulaC19H25FN2
Molecular Weight300.42 g/mol
Exact Mass300.20
IUPAC Name1-N-[2-(4-fluorophenyl)-2-methylpropyl]-2-propylbenzene-1,4-diamine
SMILESCCCc1cc(N)ccc1NCC(C)(C)c1ccc(F)cc1
InChIInChI=1S/C19H25FN2/c1-4-5-14-12-17(21)10-11-18(14)22-13-19(2,3)15-6-8-16(20)9-7-15/h6-12,22H,4-5,13,21H2,1-3H3
InChIKeyMMZVJFWTBHKVIW-UHFFFAOYSA-N
XLogP4.75
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Desipramine
CID 2995
Desipramine Hydrochloride
CID 65327
2-Amino-5-(diethylamino)toluene
CID 67364
N,N-Diethyltoluene-2,5-diamine hydrochloride
CID 108623
N,N'-Di-o-tolylethylenediamine
CID 66759
N-(3-Methylphenyl)benzenemethanamine
CID 222281
Metapramine
CID 65700
1-Biphenyl-3-yl-piperazine
CID 2756712
N-(4-Fluorophenyl)-4-methylbenzylamine
CID 292877
N-(Alpha-allylbenzyl)aniline
CID 478545
N,N'-Ethylenedi-m-toluidine
CID 81493
N-benzyl-4-fluoroaniline
CID 913402

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(4-fluorophenyl)-2-methylpropyl]-2-propylbenzene-1,4-diamine?
The IUPAC name of 1-N-[2-(4-fluorophenyl)-2-methylpropyl]-2-propylbenzene-1,4-diamine (CID 142297378) is 1-N-[2-(4-fluorophenyl)-2-methylpropyl]-2-propylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-[2-(4-fluorophenyl)-2-methylpropyl]-2-propylbenzene-1,4-diamine?
The canonical SMILES for 1-N-[2-(4-fluorophenyl)-2-methylpropyl]-2-propylbenzene-1,4-diamine is CCCc1cc(N)ccc1NCC(C)(C)c1ccc(F)cc1.
What is the InChIKey of 1-N-[2-(4-fluorophenyl)-2-methylpropyl]-2-propylbenzene-1,4-diamine?
The InChIKey is MMZVJFWTBHKVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2/c1-4-5-14-12-17(21)10-11-18(14)22-13-19(2,3)15-6-8-16(20)9-7-15/h6-12,22H,4-5,13,21H2,1-3H3.
What are the key properties of 1-N-[2-(4-fluorophenyl)-2-methylpropyl]-2-propylbenzene-1,4-diamine?
1-N-[2-(4-fluorophenyl)-2-methylpropyl]-2-propylbenzene-1,4-diamine has a molecular weight of 300.42 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(4-fluorophenyl)-2-methylpropyl]-2-propylbenzene-1,4-diamine is sourced from PubChem (CID 142297378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).